data_5t3y_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 5t3y _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 ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 73.4 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -71.93 130.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 74.34 111.083 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.4 -48.66 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.867 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.43 150.38 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.118 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.9 mt -133.02 144.93 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.42 111.115 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.8 tp -128.57 138.69 52.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.919 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.33 145.75 49.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.44 111.077 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -141.03 108.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.33 111.181 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.01 169.92 12.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.15 110.858 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -95.16 -36.32 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -86.75 122.88 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.884 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.42 47.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 75.05 111.144 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -58.37 -47.05 85.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -49.44 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 74.0 110.892 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -36.44 51.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.01 110.843 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.03 -42.69 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 65.03 111.103 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -55.72 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.3 mt -57.63 -36.15 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.2 110.934 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -65.22 -38.49 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.862 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.17 -45.97 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 73.01 111.131 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -51.67 -47.58 63.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 71.31 111.127 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.37 -36.81 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.878 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -53.01 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 52.13 111.08 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -56.45 -34.09 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.893 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.61 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.43 111.09 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.34 -33.13 5.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 53.32 112.462 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -52.36 154.4 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 74.51 110.908 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -96.11 80.53 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 75.21 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.3 p -90.66 143.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.55 111.143 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m -139.11 145.6 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.33 111.178 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -107.08 149.68 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.54 111.115 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.82 179.05 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 54.21 111.115 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.54 -35.64 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -151.52 155.63 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.3 -32.29 36.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.49 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.06 -48.28 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 73.34 110.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -35.05 78.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.061 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.39 29.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 74.12 112.469 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 74.55 110.874 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -52.33 -37.02 54.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -84.76 -33.29 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.66 23.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.55 111.097 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.86 -27.9 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 73.32 111.1 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -27.68 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 70.13 111.16 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -102.0 -36.43 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.22 111.173 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.73 74.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.111 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.58 174.56 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.913 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.54 -33.9 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 74.52 110.864 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.42 123.71 19.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.896 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.3 t -116.58 141.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -134.14 110.17 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.92 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 t -104.92 161.59 14.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.5 111.142 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 63.23 110.857 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 73.12 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -50.77 -31.85 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 72.35 110.898 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.47 -32.62 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.92 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.7 mt -50.13 -35.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.102 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.13 -50.26 74.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 42.04 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.56 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.93 -35.02 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.52 110.925 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -67.83 -49.82 60.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.04 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.19 154.67 40.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.924 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.56 35.12 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.843 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.49 -32.28 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.04 111.082 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -111.7 -24.64 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.898 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.44 11.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.31 111.107 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.93 -34.73 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.864 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -57.7 133.79 82.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 75.41 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 134.28 27.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 75.04 112.357 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.5 mm -130.04 128.03 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.54 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -122.1 118.03 27.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.862 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 p -104.31 133.5 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.104 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.14 151.12 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 64.04 110.919 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.7 t -134.34 169.75 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.163 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 t -131.32 -39.41 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 71.55 111.119 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -73.02 -35.84 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.886 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.93 43.59 98.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 73.24 112.484 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.72 165.09 12.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 75.21 110.831 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.54 -36.38 38.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.81 79.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.095 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -61.5 -36.75 81.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -51.89 -35.81 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.32 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 70.15 111.101 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.99 -57.87 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 74.04 111.117 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -43.07 62.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 64.2 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -70.28 -35.79 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.92 -44.02 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.3 76.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.178 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.54 33.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 65.14 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.28 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 64.52 111.105 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 m -56.15 -71.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 71.21 111.12 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.21 -179.46 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.24 163.9 29.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 75.53 110.93 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.86 170.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.42 . . . . 74.02 111.158 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.92 132.58 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -88.98 158.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 74.12 110.858 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.1 Cg_endo -69.75 175.51 36.25 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 -1.804 . . . . 74.3 112.375 -0.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 26.8 mm -115.73 138.97 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 71.51 111.142 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.95 156.12 60.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 75.45 110.833 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -33.59 16.2 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 73.25 112.39 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.04 65.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.798 -0.715 . . . . 73.22 112.493 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.5 t -80.9 -47.21 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 74.54 111.127 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.35 -55.54 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.917 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.19 -35.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.144 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.89 -38.22 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.05 -36.23 83.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.1 p -84.39 -34.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 73.43 111.125 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.46 27.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 73.25 111.094 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.33 -34.49 33.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.11 -35.97 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.947 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.847 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 70.25 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.6 mm -65.35 108.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 64.11 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -95.44 -41.86 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.863 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.5 p -144.43 159.35 42.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.119 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.2 mt -141.84 147.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 71.14 111.123 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tp -131.14 138.78 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.919 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.76 118.85 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.058 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -110.23 121.42 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 75.31 111.117 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.84 169.45 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.85 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.72 43.45 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 71.0 110.815 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -165.53 123.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.865 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -37.58 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.22 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -59.95 -49.84 76.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.124 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 tpt -68.95 -49.1 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.887 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -53.88 -37.29 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.839 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 -44.93 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 74.11 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.33 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.94 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.87 -49.45 76.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -51.91 -36.98 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.55 -46.21 33.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 73.42 111.072 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -51.17 -40.94 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.151 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 mt -83.92 -33.77 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.141 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.83 -37.29 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.933 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -20.7 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.88 -31.56 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 61.12 112.478 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -50.34 153.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 74.11 110.881 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -91.18 81.1 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 p -89.51 138.11 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.102 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -136.08 143.37 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 75.14 111.132 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.1 m -110.25 138.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 64.45 111.143 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.1 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 71.5 111.078 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.63 -35.53 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -155.06 160.29 40.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 72.54 110.875 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.19 -32.06 35.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 64.14 112.503 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -69.42 -51.33 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 61.32 110.921 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.29 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 72.24 111.093 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.23 -53.5 5.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.442 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -61.79 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 74.21 110.851 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.4 -39.91 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 mt -85.76 -29.46 23.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.46 -24.29 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.76 -28.3 28.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -28.08 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 62.23 111.194 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -100.16 -36.69 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.13 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 83.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -85.17 177.92 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.948 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.39 -34.1 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 61.31 110.873 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.49 124.13 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.912 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.9 t -119.48 141.98 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.164 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -129.97 131.06 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 71.12 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 t -130.61 162.73 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 73.03 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.867 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.746 0.308 . . . . 74.53 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -50.8 -29.32 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mp -48.9 -33.21 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 77.2 mt -50.02 -40.77 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.34 111.124 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.08 -35.38 64.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.102 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.68 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.31 -33.65 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 70.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.36 -48.23 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 75.13 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -61.55 -35.03 76.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 52.41 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 148.9 45.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -95.38 35.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.47 -32.34 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 55.21 111.1 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -113.28 -27.47 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.909 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.96 -35.78 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 64.11 111.071 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -83.89 -34.06 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.15 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.5 m -51.71 133.63 36.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 74.22 111.171 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 119.13 6.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 73.45 112.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.2 mm -121.08 131.46 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.34 111.15 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.03 119.39 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.956 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.2 p -104.36 134.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 70.53 111.143 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 mt -83.45 150.24 26.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 t -130.52 162.78 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.142 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -117.83 -35.05 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.098 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.6 -35.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 75.31 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.86 33.01 82.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 53.41 112.515 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.87 161.65 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 70.44 110.819 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.52 -36.28 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.03 82.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.105 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -56.39 -38.52 71.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.862 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -51.89 -35.99 47.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.895 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.059 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 72.34 111.124 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.91 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.12 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -63.87 -35.69 81.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.9 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.07 -41.25 95.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.15 78.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 73.15 111.104 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.46 32.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 71.22 112.47 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.58 143.46 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 73.35 111.104 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.4 m -59.07 -73.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.135 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.93 -179.1 16.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.481 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.37 163.15 31.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 75.43 110.928 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -150.04 170.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.45 111.119 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.87 134.03 48.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 55.12 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 2.1 pttp -96.01 159.12 32.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 73.55 110.914 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.7 175.18 37.39 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.729 -1.78 . . . . 72.1 112.296 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.1 mm -116.39 150.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.32 111.182 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.96 155.63 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.697 . . . . 64.45 110.937 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -34.0 15.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 74.23 112.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.76 -34.59 66.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 42.52 112.495 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.4 t -76.46 -49.52 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 72.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tt -52.83 -58.36 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -53.54 -35.89 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.31 111.123 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.56 -35.78 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.9 mt -68.74 -33.77 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 74.02 110.92 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.8 -34.05 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.35 111.169 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.69 -54.75 20.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 73.12 111.074 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.58 -34.63 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.079 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.32 -45.36 47.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.932 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.3 110.86 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 73.4 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.35 112.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.125 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -93.24 -58.71 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 72.25 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.28 164.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.112 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 52.2 mt -139.12 147.89 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.125 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.16 130.92 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 65.01 110.935 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.89 145.77 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.103 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.71 112.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.171 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.74 171.88 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.862 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -93.17 -52.5 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 65.35 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 t -67.29 120.72 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.904 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 -38.67 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.15 111.101 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.6 m -59.2 -37.38 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.1 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.35 -45.81 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 71.25 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -57.94 -37.48 74.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.78 -46.57 16.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 43.54 111.075 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.2 -61.92 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.39 -48.17 77.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.929 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -52.31 -41.48 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.08 61.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.13 111.135 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -51.44 -42.51 61.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.175 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.3 -37.0 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.934 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.79 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.07 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -55.85 -34.08 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 63.42 110.937 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.65 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.23 -32.83 5.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 74.33 112.509 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -52.39 154.46 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 75.33 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -97.75 81.33 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.13 110.873 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -93.27 143.58 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 71.32 111.134 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.4 m -135.55 140.45 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -96.67 138.73 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.15 111.131 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.22 -178.38 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.13 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -35.43 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 71.34 111.111 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.86 164.66 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.25 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.91 -31.93 33.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 64.34 112.457 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.13 -52.49 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 73.13 110.908 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.37 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 74.01 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.04 -47.98 35.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 74.12 112.446 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -63.71 -36.06 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 72.22 110.862 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.37 -23.54 59.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.111 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -14.61 59.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 73.04 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t -114.91 -28.59 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -110.24 -40.18 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.106 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.41 98.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 71.42 111.099 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -94.81 162.63 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 74.33 110.919 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 62.42 110.896 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.06 136.55 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.33 136.62 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.112 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -127.17 109.94 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.901 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.6 t -115.52 145.65 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.1 110.922 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.774 0.321 . . . . 73.41 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.24 -30.88 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 72.24 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.35 -32.3 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.883 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.7 mt -49.3 -37.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.148 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.05 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 75.22 111.125 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -31.51 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.091 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mt -80.08 -33.88 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -51.71 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.4 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.8 -35.02 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.939 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.48 150.28 45.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -95.2 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.18 -31.93 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 73.25 111.131 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -112.14 -24.78 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.916 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.75 -35.39 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 70.12 111.12 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -83.38 -35.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.1 m -54.19 125.8 51.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 74.32 111.16 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.275 . . . . 71.44 112.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.86 143.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.149 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.9 mt -134.81 117.6 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 72.52 110.941 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 p -104.38 134.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.16 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -83.88 152.11 24.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 75.45 110.938 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -142.38 165.38 27.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 72.41 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 t -100.76 -35.12 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -131.98 148.81 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 74.42 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.3 t -85.05 125.65 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 72.32 110.822 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.72 -36.89 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 74.52 110.848 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.92 72.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -65.18 -40.44 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.834 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -51.95 -36.73 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.66 81.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.05 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -53.86 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 54.22 111.063 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.41 111.097 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -68.57 -35.9 78.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.915 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.0 -37.91 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 72.04 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.26 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 53.54 111.066 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.82 38.82 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 72.31 112.536 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.6 147.61 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 72.53 111.112 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -66.9 -61.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.51 111.158 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.82 174.12 25.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 62.34 112.478 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.98 163.67 30.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 75.54 110.896 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.9 158.9 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.01 111.085 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.65 132.03 50.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.919 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.493 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 11.0 mtpt -76.9 160.37 76.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 74.45 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.76 176.38 32.84 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 -1.817 . . . . 71.51 112.373 -0.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.5 mm -111.1 138.62 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 75.34 111.144 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.21 155.04 52.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 71.02 110.847 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -31.88 19.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 75.02 112.384 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.14 -43.22 33.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 43.12 112.514 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -66.56 -47.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 74.34 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 tp -55.72 -42.78 75.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.881 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.16 -35.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 74.31 111.147 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -62.87 -35.96 81.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.85 -33.39 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.909 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.0 -32.96 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.09 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.3 -55.71 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 65.21 111.081 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -51.26 -34.37 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.64 -47.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 62.32 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.815 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 73.4 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.0 mm -60.7 103.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.152 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -92.82 -46.61 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.9 p -140.39 160.04 40.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 75.02 111.145 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.0 mt -142.1 146.11 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.133 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 135.71 54.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.905 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.4 146.82 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 53.24 111.117 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.64 114.94 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.141 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.0 165.52 24.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.858 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.42 37.05 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -156.19 122.43 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.7 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 70.43 111.083 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.4 m -63.76 -52.94 58.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.166 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.56 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.877 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -36.23 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.893 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.33 -36.85 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 73.43 111.078 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.97 -61.34 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.42 -35.18 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.922 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -70.05 -39.13 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 70.13 110.88 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.88 47.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -51.43 -44.59 62.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.149 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 mt -78.34 -38.31 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 52.1 111.079 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -55.78 -33.93 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 72.45 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.64 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.098 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.2 -32.43 6.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.747 . . . . 63.54 112.489 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -51.91 154.44 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.366 . . . . 74.31 110.932 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.35 76.04 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 65.4 110.906 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 p -90.15 144.15 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.35 111.127 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.1 m -139.73 144.85 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.35 111.142 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -100.04 154.21 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.34 111.151 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.77 -176.97 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 60.32 111.109 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.1 -35.67 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.45 111.097 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -153.47 163.04 40.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 62.33 110.893 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.4 -32.76 38.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 61.51 112.48 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -78.18 -44.98 24.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 72.5 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.04 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.41 111.081 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 -51.42 6.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 61.52 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.93 -46.68 86.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 75.21 110.911 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.77 -40.54 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 75.55 110.859 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -80.49 -34.05 36.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.5 -25.75 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 63.34 111.104 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.85 -29.05 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.41 111.109 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -27.79 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.155 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.71 -34.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.41 111.16 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 88.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.32 111.112 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -91.17 174.46 7.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.943 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -85.5 -36.04 20.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 73.13 110.859 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.25 140.33 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 61.25 110.897 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 t -120.36 149.21 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 73.11 111.092 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.63 116.02 11.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.91 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -123.34 156.96 34.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 61.5 111.174 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 64.43 110.923 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.779 0.323 . . . . 74.14 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.62 -32.16 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.41 -32.9 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -50.11 -35.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 74.21 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.66 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.16 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.44 111.082 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.42 -34.76 41.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.04 110.913 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -58.56 -52.07 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.837 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.87 -35.21 66.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 72.34 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.35 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -95.36 35.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.28 -32.16 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 52.33 111.081 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -112.27 -25.87 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 75.11 110.931 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.39 -35.8 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.53 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.16 -35.43 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.886 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.3 m -54.19 125.71 50.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.525 0.679 . . . . 71.23 111.144 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 92.45 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 73.23 112.357 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -80.77 139.31 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.51 111.118 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.9 mt -126.87 118.44 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.923 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.4 p -113.65 147.85 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.156 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.0 mt -94.29 151.23 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.88 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 t -133.0 145.51 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.155 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -94.53 -35.37 12.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 73.12 111.145 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.79 -70.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 73.52 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.62 39.32 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 65.54 112.518 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -113.38 166.91 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 73.34 110.872 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.18 -44.07 97.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 54.32 110.898 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.17 -41.3 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 65.34 111.097 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.38 -41.7 97.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -52.0 -36.59 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.36 80.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -59.42 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 -47.09 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.21 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.75 -35.61 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 74.11 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.9 -41.49 97.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 75.31 111.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.18 35.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 71.12 112.452 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.89 162.03 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 64.11 111.098 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 m -97.86 -56.51 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.21 111.137 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.6 166.02 23.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.88 164.64 29.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 72.23 110.905 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.36 169.77 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.45 111.14 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -108.21 101.0 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.842 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.35 155.89 89.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 74.14 110.893 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.72 167.33 71.32 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 -1.801 . . . . 71.42 112.341 -0.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.84 149.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.27 157.93 47.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 73.11 110.887 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -36.04 11.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 72.32 112.315 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.03 -39.19 54.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.54 -47.23 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 72.13 111.131 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.69 -54.39 42.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.909 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.1 t -52.79 -35.17 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.23 111.148 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -70.54 -37.15 74.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.43 -36.61 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.953 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.1 p -84.45 -34.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 75.11 111.118 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.41 47.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 53.42 111.122 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -51.43 -33.87 32.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.166 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.6 mt -80.77 -35.96 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.798 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 71.14 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.2 mm -70.91 129.62 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 72.41 111.128 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -118.09 -46.65 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.1 p -137.34 162.74 32.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 61.43 111.149 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.13 147.15 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.3 111.147 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.61 135.58 49.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.9 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.39 144.79 50.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.054 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -141.26 112.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.11 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.37 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.883 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.78 78.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.89 112.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.869 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -51.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 65.21 111.087 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -55.45 -35.29 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.122 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.17 -49.75 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.888 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -34.16 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.871 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -35.28 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.23 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.55 -62.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.928 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -52.07 -35.48 47.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.939 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -67.23 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.9 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.55 -44.12 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 54.31 111.108 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -50.72 -42.91 57.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 64.21 111.12 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 mt -84.39 -35.11 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.13 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 61.14 111.119 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -55.57 -34.12 64.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 70.02 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.82 -20.63 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.56 -32.37 6.84 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 64.35 112.454 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -51.86 153.88 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 73.44 110.939 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.95 76.09 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 74.04 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -84.43 144.01 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.11 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -140.5 137.34 33.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.159 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -96.4 161.96 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.124 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.0 -177.43 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.094 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.37 -35.34 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 54.11 111.104 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.37 160.42 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.871 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.87 -31.49 31.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.491 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -74.06 -47.14 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 74.32 110.938 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -34.97 72.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.064 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.26 -45.16 11.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 74.05 112.514 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.41 -47.0 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.365 . . . . 75.14 110.896 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.42 -39.47 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 63.14 110.855 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.7 mt -83.19 -33.3 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.901 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.54 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.52 111.082 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.89 -27.77 26.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 71.13 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -27.76 23.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 64.01 111.168 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.7 m -101.93 -36.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.126 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.69 75.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 61.21 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -76.41 166.25 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.967 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -82.15 -34.41 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.53 110.876 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.7 125.11 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.881 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.77 149.45 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.168 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.73 121.95 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.924 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 t -115.59 162.16 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 63.42 111.168 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.921 179.902 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.76 0.314 . . . . 74.25 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -51.77 -29.62 19.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 65.4 110.942 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 mt -49.37 -32.08 10.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 74.5 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -48.95 -34.8 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.23 111.114 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.05 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.13 111.107 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.6 -36.88 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.109 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.95 -33.92 76.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.889 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.18 -44.11 80.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.851 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -73.39 -35.72 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.954 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.95 146.13 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 75.53 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -95.35 34.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.86 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.6 -33.72 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.32 111.095 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.74 -27.49 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.904 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.77 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 44.31 111.105 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.01 -35.51 56.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.6 m -52.33 126.33 36.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 72.34 111.115 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 98.88 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 74.51 112.311 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.5 mm -92.23 135.33 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 74.21 111.138 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -123.85 121.97 36.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.881 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.21 140.54 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.167 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mt -84.13 149.01 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.942 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.1 t -144.44 172.77 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 61.54 111.145 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -134.39 -40.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -60.34 -74.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 70.03 110.836 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.47 38.04 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 75.51 112.483 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -115.88 134.22 55.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.1 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.408 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 4.0 m-20 -53.28 -30.72 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.126 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.25 -52.06 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 88' ' ' ASP . 9.4 ptmt -61.12 -32.82 72.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.88 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.094 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.05 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.058 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.03 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -70.52 -35.79 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.52 -40.12 78.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.868 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.16 75.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.97 37.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 65.12 112.498 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.05 122.64 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 52.32 111.124 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.6 m -51.2 -55.94 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.15 111.17 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.89 -179.41 30.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 64.1 112.477 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.26 164.22 29.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 74.34 110.841 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.16 170.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 75.53 111.154 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -99.68 118.92 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.804 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -91.12 160.08 38.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 74.44 110.894 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.73 174.97 38.33 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 -1.809 . . . . 75.12 112.348 -0.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.9 mm -115.02 142.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.52 111.114 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.24 156.94 90.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 53.54 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -37.73 8.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 74.22 112.327 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.18 -33.2 57.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.488 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.37 -50.31 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 72.5 111.129 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.19 -39.12 55.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.938 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.51 -33.11 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.108 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.56 -42.39 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.1 p -84.32 -33.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.02 111.174 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.51 26.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.38 -34.86 36.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.13 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.64 -44.25 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 75.25 110.95 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.825 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.724 0.297 . . . . 73.42 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.83 115.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -93.27 -44.32 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.8 p -150.88 167.03 28.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 62.11 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.2 mt -139.72 140.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.83 131.89 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.881 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -136.8 148.9 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 42.53 111.101 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.7 138.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.2 111.1 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -159.62 169.98 22.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.898 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.18 -63.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 75.23 110.912 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -51.7 107.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 75.12 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.01 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.14 111.092 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.9 m -51.63 -35.43 41.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.154 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -56.11 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.879 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -37.2 51.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.892 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 45.12 111.101 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -73.98 -53.68 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.39 -42.59 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.937 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -54.92 -44.11 73.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.883 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 53.53 111.102 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.59 -58.23 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.129 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.14 -44.66 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.35 -54.8 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 74.23 111.123 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -57.04 -33.72 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.75 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.129 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.72 -33.29 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 63.13 112.492 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.47 152.58 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 73.35 110.915 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.2 80.44 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 65.33 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -84.44 132.56 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.13 111.144 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.8 m -121.3 137.71 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.13 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -105.28 140.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.28 -175.96 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 52.31 111.108 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.94 -37.3 15.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -151.53 163.03 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.914 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.16 -32.89 36.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 71.42 112.531 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.02 -47.84 41.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.362 . . . . 72.34 110.904 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.13 76.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 64.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.41 -50.67 11.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 35.33 112.487 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.67 -48.64 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 70.23 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.79 -37.08 50.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.868 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.48 -33.27 25.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.1 -25.91 24.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 64.44 111.106 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.75 -27.89 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.93 -27.81 24.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 74.23 111.138 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.5 m -101.87 -35.49 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.199 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.48 82.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 62.32 111.137 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -86.24 174.58 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.955 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.89 -35.67 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 75.02 110.889 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.31 128.44 25.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.919 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.1 t -113.73 142.41 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.35 111.137 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -130.88 113.01 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 t -119.52 159.45 24.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.45 111.151 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.881 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.806 0.336 . . . . 73.23 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.28 -31.94 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.892 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.11 -34.27 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.901 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.1 mt -50.28 -43.63 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.79 -56.21 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.31 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.03 111.096 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -56.45 -34.26 66.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.932 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.14 -35.65 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -70.64 -42.17 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.61 149.84 48.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -95.63 34.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.41 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.84 -33.2 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 75.2 111.082 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.36 -29.02 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 74.15 110.97 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.56 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 72.34 111.087 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.61 -33.68 27.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -51.62 133.74 35.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 75.3 111.151 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 71.35 112.331 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.6 mm -103.42 141.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 73.21 111.165 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.3 mt -131.71 115.02 15.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.906 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.97 149.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.088 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mp -97.93 151.34 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 t -130.93 153.63 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.13 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.4 p -98.33 -36.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 71.32 111.132 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.73 -73.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 63.3 110.856 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.45 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 73.41 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -103.29 152.43 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 75.41 110.865 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -54.7 -39.69 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 55.54 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.29 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 71.22 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.27 -39.84 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -52.67 -36.39 56.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.913 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.13 111.132 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.04 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 71.25 111.08 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.57 -39.07 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.2 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -72.48 -35.75 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.3 -36.24 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.35 83.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 64.44 111.122 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.63 33.6 0.65 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 71.43 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.25 141.33 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 74.41 111.136 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -77.25 -56.46 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.31 111.129 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.49 167.4 23.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 43.15 112.496 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.56 164.78 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.714 0.292 . . . . 65.23 110.919 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.78 168.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 62.4 111.106 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.12 120.08 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -77.2 157.79 80.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 75.4 110.893 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.73 174.52 40.15 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 -1.796 . . . . 73.31 112.352 -0.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.4 mm -114.89 139.76 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 75.35 111.121 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.95 158.32 39.88 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.702 . . . . 72.52 110.919 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -32.84 17.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 73.22 112.338 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.76 -38.72 49.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 72.05 112.464 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.62 -40.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 73.41 111.142 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.44 -56.53 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.893 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.1 t -53.12 -35.83 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.101 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.52 -36.21 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.941 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 23.8 t -84.38 -35.25 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.33 111.172 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.55 -54.83 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 73.33 111.141 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.8 t -51.66 -35.09 41.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 75.11 111.139 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.24 -43.91 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 70.23 110.902 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.828 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.725 0.298 . . . . 75.24 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.67 125.99 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 73.54 111.176 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -108.67 -50.26 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.823 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.7 p -138.26 161.68 36.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.12 111.116 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.7 mt -142.84 143.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 73.4 111.164 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.55 129.56 37.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.927 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.72 156.23 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.132 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.56 136.99 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 70.43 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.08 172.0 15.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.87 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.48 -61.14 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.859 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 m -54.05 102.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.886 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -35.78 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 61.42 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -62.6 -41.28 98.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 74.15 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.2 ttt -62.0 -56.94 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 72.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -59.97 -33.77 72.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.881 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.99 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.7 -43.7 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.92 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.51 -44.22 68.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.962 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -51.77 -43.18 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.839 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.4 78.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.05 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -57.5 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.43 111.15 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.87 -37.42 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 75.04 110.919 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.2 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.4 111.101 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -63.93 -33.39 75.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.962 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 -20.59 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.24 111.065 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.07 -32.81 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 70.41 112.463 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -58.34 152.82 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.44 110.929 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.65 78.52 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 75.12 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -84.97 135.89 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.083 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -133.4 146.9 51.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 64.2 111.132 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -118.91 138.79 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.108 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.39 -176.37 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.093 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.52 -35.52 22.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 73.34 111.091 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -151.77 166.27 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 70.53 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.1 -34.15 61.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 71.32 112.48 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -68.43 -48.48 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.47 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.095 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.42 -45.2 11.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.755 -0.736 . . . . 72.55 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -65.91 -46.43 78.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 75.24 110.847 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.37 -36.16 61.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.63 -32.22 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.874 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -26.07 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.108 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.21 -27.22 26.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.1 111.105 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -27.76 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.176 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.2 m -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.106 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.92 66.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 73.21 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -67.19 160.35 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.35 110.946 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.63 -33.83 62.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 62.22 110.809 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -137.69 128.22 26.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.911 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.4 t -116.16 147.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 74.22 111.126 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -138.4 111.47 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 71.12 110.91 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.6 t -121.56 162.73 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 74.02 111.131 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.872 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.769 0.319 . . . . 73.2 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.49 -24.94 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.891 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 tp -48.58 -32.78 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 71.43 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.3 mt -48.59 -39.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.02 111.132 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.17 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.41 111.058 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.95 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 53.45 111.055 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.94 -33.67 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.888 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.58 -51.86 68.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.837 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.95 -35.19 66.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.36 151.28 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.938 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -95.47 34.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.902 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.46 -32.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 72.04 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.88 -24.54 10.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.951 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.12 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 74.12 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -84.87 -34.53 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.0 m -51.7 128.12 34.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.533 0.682 . . . . 63.21 111.153 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 102.71 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 73.04 112.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.2 mm -91.88 130.88 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.157 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 mt -123.36 118.05 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.919 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.14 138.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 61.35 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.1 mt -83.9 148.12 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.922 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.4 t -146.51 175.23 10.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.133 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.8 p -127.68 -44.29 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.141 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -166.56 66.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.06 -21.29 13.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 62.12 112.512 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 t 63.25 179.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 72.23 110.879 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.8 -34.64 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 71.34 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.53 -30.99 55.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 55.34 111.101 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -81.03 -35.11 32.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.87 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -50.72 -33.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.867 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.11 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 75.12 111.1 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.64 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.04 111.093 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.55 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.34 -36.15 76.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.02 -42.79 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.108 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.37 37.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 74.22 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.2 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 71.33 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.6 m -102.78 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.145 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.81 175.4 21.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 73.05 112.46 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.05 162.58 33.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 74.1 110.935 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.72 170.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.107 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -104.07 134.4 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.873 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.499 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -100.87 158.64 31.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 74.53 110.917 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.82 175.79 35.36 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 -1.798 . . . . 75.11 112.331 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mm -112.83 143.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.66 156.12 61.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 73.13 110.889 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.79 13.97 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.7 2.267 . . . . 54.24 112.302 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.68 -35.79 62.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 71.42 112.474 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.2 t -83.45 -35.09 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 75.11 111.176 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.8 -36.76 84.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.23 -27.93 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 74.32 111.138 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -72.95 -43.28 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.44 -34.91 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.54 110.893 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.4 p -84.51 -33.96 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.1 111.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.29 -52.3 53.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.134 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.1 t -51.77 -33.43 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -82.06 -35.73 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.888 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.12 110.897 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 74.24 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.33 98.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.149 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -95.33 -49.44 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 73.32 110.882 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.2 p -132.37 160.37 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 72.42 111.137 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.9 mt -141.96 141.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.181 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.49 131.46 51.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.948 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.12 153.05 46.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.094 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mp -141.09 139.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.127 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -163.19 172.39 14.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.884 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.8 -53.49 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.835 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -61.76 101.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.875 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -35.67 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.31 111.062 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 m -62.67 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 63.22 111.172 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.44 -57.04 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.898 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -59.5 -34.11 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 72.54 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.7 -35.5 78.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.108 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.84 -53.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.937 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.26 -40.28 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.948 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -51.63 -42.41 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.41 110.802 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.11 -35.45 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.138 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -55.35 -42.56 74.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.12 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -83.85 -34.67 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.906 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.71 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 55.51 111.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.91 -37.97 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.76 -20.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.082 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.06 -33.37 5.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 75.42 112.474 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.75 153.62 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.21 110.951 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -100.46 80.95 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.893 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -91.35 139.74 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.31 111.143 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -135.42 148.73 49.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.5 111.165 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.08 138.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.53 111.147 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.4 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.5 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.58 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.23 111.075 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.91 164.15 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.838 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.82 64.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 72.51 112.473 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.87 -42.78 80.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.0 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 63.12 111.155 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.99 -47.25 32.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 72.12 112.475 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -36.23 74.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 74.22 110.877 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.19 -49.04 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 64.15 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.64 -43.78 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 71.33 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.99 50.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.063 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.61 71.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.12 -31.35 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.156 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.6 m -79.83 -38.43 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.169 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.72 82.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 52.32 111.067 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.38 -35.25 68.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 74.31 110.854 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.56 134.25 35.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.905 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.64 150.08 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.21 111.152 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -139.65 129.7 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 t -149.03 148.61 29.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.53 111.125 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.851 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 74.44 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -50.79 -30.78 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 65.43 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.8 mt -49.67 -33.73 16.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.954 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.6 mt -49.97 -40.1 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 73.51 111.094 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.21 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 63.25 111.099 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.05 -33.68 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 70.22 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -70.37 -51.58 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -55.84 -35.12 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.01 152.51 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 t -95.16 35.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.871 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.46 -31.44 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 73.21 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -113.31 -24.73 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 73.34 110.901 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.31 -36.71 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 75.43 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.75 -35.61 44.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.2 m -51.91 125.7 31.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.589 0.709 . . . . 72.1 111.14 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 94.82 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 54.01 112.345 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.3 mm -87.31 135.31 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 74.54 111.182 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 mt -125.51 119.62 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.94 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 p -108.81 135.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.11 111.121 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.14 149.8 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 t -127.86 146.78 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.146 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -100.16 -34.48 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.03 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.08 -42.02 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.62 49.35 24.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 61.44 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.78 161.76 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 72.5 110.874 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.58 -37.8 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 74.5 110.874 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.34 86.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.53 111.156 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.17 -37.72 81.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -52.12 -35.83 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.942 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.02 82.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 64.35 111.077 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.12 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.3 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -64.92 -35.61 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.66 -41.61 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 73.11 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.44 44.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 74.13 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.42 151.13 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 74.21 111.099 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.9 m -79.77 -64.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 75.45 111.163 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.81 175.42 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 52.3 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.01 164.03 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.711 0.291 . . . . 74.42 110.922 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.76 170.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 75.32 111.143 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.08 134.53 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.9 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 pttm -100.22 158.52 31.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 72.24 110.879 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.78 175.61 35.93 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 -1.802 . . . . 75.01 112.33 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.84 141.42 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.119 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 157.79 57.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 73.21 110.886 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -35.72 12.14 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 75.13 112.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.61 -37.33 58.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 74.25 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.47 -46.64 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 62.13 111.144 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.07 -60.35 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 73.24 110.919 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.45 -35.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.42 111.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.5 -35.75 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.898 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.85 -34.86 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.28 -34.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.096 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.59 25.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 70.44 111.105 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.26 -34.82 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.78 -46.25 63.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.901 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.42 110.82 -179.877 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 70.11 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.19 141.9 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -134.2 -46.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.21 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.111 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -132.37 143.68 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.122 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.58 133.32 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.922 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.13 147.01 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.103 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mp -140.62 108.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.139 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.15 171.41 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.897 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -103.36 -48.23 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -52.34 110.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 54.55 110.838 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.9 -35.8 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 52.4 111.102 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 m -70.16 -38.62 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.143 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.0 tpt -68.88 -50.83 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.922 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.49 -36.8 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.49 -44.97 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 64.21 111.112 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.2 -61.55 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.44 -35.93 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 72.01 110.91 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -63.38 -41.33 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.878 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.38 47.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 72.04 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -51.42 -44.02 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 64.52 111.097 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.04 -36.37 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -53.02 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 71.23 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -55.84 -33.6 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.92 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.66 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.33 111.075 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 -33.28 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -54.79 154.26 5.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 75.42 110.894 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.97 80.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.51 143.7 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.137 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -139.36 137.83 36.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.97 138.88 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.066 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.32 179.26 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.111 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.07 -35.36 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 72.32 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -156.94 162.51 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.848 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.15 -32.19 35.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 73.14 112.467 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.71 -50.72 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 75.4 110.91 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.62 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 70.44 111.132 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.12 -52.18 9.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.22 112.48 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.16 -47.59 76.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 74.24 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.73 -36.13 45.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.896 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.81 -33.38 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.94 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.97 24.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 71.03 111.077 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.94 -28.37 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.113 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -27.72 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 64.21 111.152 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -101.98 -36.35 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.082 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.22 67.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 72.04 111.132 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -68.13 174.56 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 65.23 110.909 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.97 -34.56 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 71.13 110.843 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.28 131.3 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.945 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.3 t -112.6 148.65 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.12 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -135.87 113.1 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.897 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -116.34 153.39 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.145 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.852 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.767 0.318 . . . . 73.34 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -51.82 -29.74 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.842 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.19 -32.95 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.92 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.1 mt -50.01 -36.93 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.158 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -42.55 85.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.115 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.44 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.12 111.105 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.51 -34.53 47.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.85 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -56.19 -35.47 67.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 75.53 110.894 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.68 151.14 43.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.942 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.4 p -95.35 35.68 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.4 -32.28 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 63.12 111.065 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.85 -24.35 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.36 -38.93 20.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 73.33 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.89 -35.27 59.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 72.52 110.862 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.9 m -57.94 126.34 76.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 73.15 111.126 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 74.21 112.37 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.3 mm -103.18 127.57 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.143 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.85 114.0 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.906 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.4 p -104.58 146.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.145 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.82 151.53 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.2 t -136.46 161.69 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.149 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.3 p -104.25 -45.05 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.13 111.203 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -74.48 -62.32 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.897 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.07 33.4 8.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 72.05 112.496 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.88 157.38 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 73.54 110.905 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.8 -36.1 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 63.21 110.882 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.04 84.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.89 -37.39 76.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.877 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -52.03 -35.84 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.896 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 72.34 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -57.24 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.3 111.097 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -49.65 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.14 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -66.01 -35.62 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.887 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.81 -44.2 94.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.22 110.869 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.29 84.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 70.24 111.08 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.16 35.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 51.22 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.71 142.25 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 71.43 111.123 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.8 m -69.77 -67.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.172 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.0 170.76 21.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 63.23 112.489 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.66 166.53 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 74.33 110.898 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.76 167.22 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.22 111.101 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.2 128.72 55.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 72.03 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -74.96 160.5 80.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 74.02 110.882 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.8 176.87 30.98 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 -1.799 . . . . 62.55 112.335 -0.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.0 mm -110.6 140.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.44 111.153 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.58 156.13 35.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 73.34 110.858 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -31.03 21.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 72.34 112.308 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.22 -37.22 49.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.43 112.468 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.41 -46.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 71.44 111.142 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.07 -51.92 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.4 -52.27 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 70.44 111.103 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.78 -36.06 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.8 -35.41 79.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 75.42 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.3 t -84.6 -35.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 53.43 111.128 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.73 -54.22 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.44 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.1 -34.61 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.114 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.55 -35.82 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 62.3 110.967 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.855 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 71.23 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mm -59.18 116.21 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 74.34 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -102.71 -48.23 4.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.8 p -140.76 164.99 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 71.25 111.151 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.04 143.57 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.108 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.53 137.19 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.916 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.6 147.7 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 71.24 111.079 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.9 128.48 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.093 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.17 161.83 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.893 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.15 -42.34 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.839 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 m -69.38 113.69 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.87 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.41 47.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.109 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -55.42 -49.7 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.139 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ttm -66.05 -46.91 76.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.829 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -52.19 -38.11 56.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.904 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.7 -43.5 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 54.21 111.129 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -54.73 -62.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.868 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.3 mt -57.38 -35.35 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.969 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.43 -39.1 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.823 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -47.66 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 74.43 111.072 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -51.2 -40.21 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.1 111.161 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.91 -35.26 26.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.948 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.11 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 45.44 111.092 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -55.73 -37.48 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.51 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.66 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.08 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.31 -31.52 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 65.01 112.465 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -50.43 153.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 74.52 110.903 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.01 77.51 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 75.05 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 p -85.36 140.18 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 65.32 111.158 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -140.84 131.96 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.89 138.81 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 75.04 111.157 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.11 -176.74 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.22 111.094 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.11 -35.54 16.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.096 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -155.59 164.97 37.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.853 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.33 -32.79 37.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 74.11 112.509 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.02 -48.21 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 72.53 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -35.14 72.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.01 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.39 -46.42 12.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 62.13 112.523 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.76 -47.68 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 73.43 110.859 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -52.15 -37.56 54.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.02 -34.7 24.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.17 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.92 -29.31 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.3 111.098 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 -27.8 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.158 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.43 -35.79 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.02 76.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 73.02 111.105 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.94 173.99 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -35.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.904 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.78 121.91 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.917 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.72 149.52 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 74.32 111.149 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -137.8 110.21 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.933 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.2 t -109.23 162.66 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.161 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.873 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.789 0.328 . . . . 75.51 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.22 -31.38 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -32.35 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.4 mt -50.31 -35.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.166 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.62 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.44 111.061 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.57 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.112 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.75 -34.71 45.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.91 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -61.16 -51.31 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.01 110.838 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.07 -35.23 66.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.11 151.81 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.02 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -95.56 35.52 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.874 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.63 -32.25 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 75.12 111.094 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.07 -27.45 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 74.53 110.933 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.65 -35.74 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.115 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -85.01 -34.04 22.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -53.2 133.54 51.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.586 0.707 . . . . 64.11 111.122 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 108.19 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 74.12 112.367 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -111.24 126.43 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.133 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.28 120.79 38.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 64.32 110.908 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.69 137.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.115 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -83.71 147.6 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 t -132.87 162.53 31.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.33 111.179 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.8 p -112.7 -37.07 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 61.35 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -72.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.875 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.69 33.32 4.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 73.41 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -117.4 179.9 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 72.1 110.862 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -72.36 -36.27 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 75.42 110.833 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.04 -37.59 54.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.51 111.132 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -73.3 -40.39 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.25 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -52.8 -36.31 58.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.9 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.76 81.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 70.21 111.098 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.25 111.099 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.077 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -64.53 -35.78 82.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.1 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.46 -40.16 96.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 62.43 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.3 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.12 111.112 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.06 33.62 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 61.4 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.06 135.58 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 71.51 111.115 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.0 m -52.84 -69.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 62.34 111.165 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.43 -179.12 16.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 75.02 112.535 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.03 165.46 25.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.695 0.283 . . . . 74.34 110.978 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pt -150.36 165.87 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 74.22 111.137 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.51 108.44 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.49 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -73.72 159.86 83.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 71.42 110.911 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.73 170.41 58.48 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 -1.783 . . . . 72.24 112.398 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.6 mm -114.24 139.35 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.25 111.127 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.08 158.05 65.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 74.13 110.842 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.78 17.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 74.03 112.328 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.23 -33.4 61.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 73.22 112.485 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.72 -44.26 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 74.05 111.159 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.29 -60.17 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.2 110.936 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.6 t -53.95 -35.77 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.134 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -71.11 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.98 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.27 -34.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.118 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.35 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.04 111.11 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.82 -35.38 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.12 111.155 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.04 -42.3 39.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 65.34 110.924 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.889 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 75.42 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.99 105.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 70.03 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -60.43 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.87 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.5 p -137.44 168.61 19.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.112 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -139.51 145.12 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 75.54 111.163 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.75 134.54 50.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.932 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.95 144.28 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.61 129.24 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 71.41 111.152 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -163.33 171.96 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.865 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -89.01 -53.11 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.839 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -62.96 104.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.879 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -37.25 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.108 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -60.41 -35.23 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.135 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.3 tpp -66.16 -56.69 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.887 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.89 -33.36 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.53 110.836 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.16 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.74 -35.09 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 72.4 110.916 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.938 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -62.01 -35.99 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.838 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.18 -42.63 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.092 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -55.55 -59.06 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 75.11 111.12 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.12 -35.82 81.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.78 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 72.0 111.08 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -58.28 -33.38 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.936 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -20.67 65.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 64.22 111.073 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.51 -32.96 5.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 64.04 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -51.67 154.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 75.15 110.911 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -98.57 81.57 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 74.32 110.857 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.37 143.68 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.114 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -134.36 154.92 51.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.169 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.17 138.76 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -179.8 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.36 -35.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 64.22 111.092 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -145.4 155.67 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 71.01 110.83 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.22 -32.89 37.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 60.41 112.485 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -71.16 -50.07 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 71.51 110.902 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.03 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 64.34 111.118 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.67 -44.56 12.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 75.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.83 -46.47 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 61.13 110.91 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.43 -35.86 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.64 -34.73 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.31 110.935 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.57 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 74.53 111.102 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.68 -28.11 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 73.42 111.12 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.66 -27.3 27.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.143 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -103.21 -36.05 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.129 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.09 67.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 64.25 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -67.37 169.19 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.916 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.36 -34.31 28.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 70.25 110.877 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -141.98 125.99 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.91 150.48 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.1 111.128 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -131.47 118.61 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 t -126.68 162.59 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.21 111.13 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.823 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.821 0.343 . . . . 74.11 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.88 -31.15 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.891 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 94.6 mt -49.99 -33.09 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.955 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.0 mt -50.4 -38.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.1 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.114 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.82 -33.92 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.54 111.088 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.7 -34.55 60.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.913 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.12 -51.08 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.92 -35.02 66.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.902 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.18 153.84 42.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.5 34.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 62.42 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.76 -32.26 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.13 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.29 -25.06 9.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.53 110.891 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.12 -35.7 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.44 -35.24 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 65.12 110.877 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.4 m -52.78 125.92 39.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 64.41 111.124 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 75.01 112.34 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.0 mm -100.11 132.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 74.34 111.121 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -123.41 121.64 36.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.874 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.38 139.0 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 72.1 111.13 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mp -84.19 137.8 33.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.916 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.1 t -125.51 163.85 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.02 111.16 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 t -119.5 -34.9 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.24 111.125 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.89 -70.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.37 5.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 72.14 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -109.47 -176.76 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 72.21 110.884 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -79.73 -38.09 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.87 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.51 70.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.1 111.104 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.0 -42.22 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -55.45 -36.03 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 75.22 110.877 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.8 71.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.092 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -61.42 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 71.21 111.069 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.68 -44.94 66.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 62.34 111.091 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -67.03 -35.58 80.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 74.14 110.846 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.09 -41.61 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.901 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.07 -37.31 72.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.142 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.72 34.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.85 136.58 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.4 111.12 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.1 m -53.92 -70.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.128 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.25 -178.87 16.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 53.21 112.52 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.26 165.32 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 74.1 110.897 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -149.88 170.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.31 111.118 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -102.99 133.94 47.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.886 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -99.36 158.39 32.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.537 0.684 . . . . 74.03 110.898 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.78 175.65 35.76 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 -1.803 . . . . 64.52 112.345 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.59 137.98 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.133 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 157.2 79.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 71.52 110.906 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -36.01 11.55 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.703 2.268 . . . . 73.34 112.3 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.05 -40.31 51.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 41.23 112.491 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.36 -47.88 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 75.33 111.154 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.69 -47.06 67.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 71.11 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.73 -35.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.171 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.831 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.94 -35.1 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 65.42 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.29 -35.87 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.45 111.125 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.22 -53.3 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 60.11 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.4 t -51.5 -33.3 31.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.118 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.52 -35.75 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.55 110.954 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.826 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 75.51 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.76 101.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 74.02 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -85.69 -38.43 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 72.44 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 p -150.73 177.39 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.151 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.6 mt -147.21 145.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.114 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.52 128.42 44.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.942 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.97 139.9 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.32 111.087 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mp -138.04 137.12 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.187 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -163.1 169.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.865 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -108.73 43.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 64.45 110.873 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -151.23 111.18 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.898 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.64 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.33 111.102 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 m -64.18 -52.16 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 73.13 111.159 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 ttp -65.28 -47.69 75.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.18 -36.55 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.911 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.75 17.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.53 111.119 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.72 -62.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.6 mt -55.75 -51.65 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.45 110.943 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.795 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.12 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.131 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -50.71 -42.03 56.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 71.22 111.149 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 mt -84.7 -35.0 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 74.02 110.913 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.65 54.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.077 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.85 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 63.3 110.913 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -21.05 66.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 60.14 111.081 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.35 -32.04 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 53.11 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -49.9 153.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 74.14 110.924 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.19 158.57 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.168 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.0 m -143.26 110.6 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.53 111.185 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -95.8 138.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.137 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.4 -175.96 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 73.51 111.105 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.81 -35.61 26.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 72.13 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.66 169.18 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.808 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.95 -32.55 82.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 74.22 112.479 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -68.21 -44.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 75.42 110.869 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.06 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.135 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.45 -47.38 22.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 74.21 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.89 -41.79 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 75.11 110.831 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.18 -38.29 73.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.44 -33.96 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 74.4 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.36 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.02 111.13 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.03 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 -27.5 26.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -102.69 -36.27 8.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 88.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 54.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -90.64 175.94 6.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 -35.08 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.98 127.77 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.58 138.37 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 71.35 111.12 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -123.53 110.25 14.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.91 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.8 t -112.54 141.4 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.131 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.871 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 73.43 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -51.46 -30.72 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.52 110.866 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.1 mt -50.54 -34.15 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.941 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.9 mt -50.06 -40.72 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.156 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.55 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.14 111.115 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.41 -33.13 55.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.089 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.64 -33.69 53.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -62.35 -51.64 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.52 110.886 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.05 -34.76 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 65.52 110.908 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.37 152.88 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.43 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 t -95.12 35.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.51 110.807 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.74 -32.31 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 62.33 111.085 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -111.7 -26.02 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.925 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.93 -35.44 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.095 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -34.36 24.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 75.51 110.878 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 84.8 m -57.11 133.42 80.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.7 . . . . 63.43 111.155 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.92 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 54.11 112.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.51 116.41 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 74.01 111.088 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -107.15 117.26 33.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.0 p -104.53 133.39 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 70.35 111.145 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.1 mp -83.85 142.97 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.886 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 t -127.27 163.97 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 62.43 111.092 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 t -118.27 -34.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.167 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.5 -47.45 22.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 52.08 13.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.505 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 t -124.16 153.18 41.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 65.24 110.89 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -53.73 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.845 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.7 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.07 -36.19 80.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -63.52 -37.01 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.1 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.118 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.42 -61.6 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 72.13 111.094 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.32 -45.38 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 65.01 111.122 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -66.82 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.41 110.909 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 75.35 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.32 81.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 72.35 111.07 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.86 46.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.719 . . . . 64.21 112.51 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.21 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 63.42 111.088 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.8 m -89.88 -54.18 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.32 111.131 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -137.72 174.36 21.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 74.44 112.509 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.38 165.44 26.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 70.22 110.904 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -150.53 169.78 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.1 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.32 125.37 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -89.24 157.7 47.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 74.23 110.901 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.82 176.01 34.49 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.656 -1.81 . . . . 71.32 112.354 -0.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 46.6 mm -104.26 142.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.22 111.15 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 158.67 48.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 71.24 110.836 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -35.96 11.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.219 . . . . 75.0 112.372 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.3 -32.83 33.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 53.44 112.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.4 t -74.94 -33.29 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 75.24 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.98 -35.4 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.896 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.72 -39.21 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.079 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.73 -32.84 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.05 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.6 mt -71.28 -37.83 71.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 74.11 110.963 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.1 p -82.55 -33.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 75.13 111.135 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.97 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 70.51 111.15 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.7 t -51.67 -32.69 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 62.01 111.149 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.1 mt -75.15 -35.91 61.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 73.01 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.865 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.715 0.293 . . . . 74.13 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.27 101.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 74.51 111.109 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -95.73 -57.37 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.9 p -124.27 160.16 28.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.146 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 75.0 mt -145.11 138.16 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.131 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.78 137.78 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.93 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.2 153.66 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.061 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -141.11 122.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.4 111.133 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -153.42 160.58 42.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.886 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.11 -36.74 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 t -67.65 113.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.97 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.12 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.2 m -63.01 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 73.13 111.148 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.9 tpp -73.2 -37.98 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.867 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -64.37 -36.47 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.91 -48.39 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.23 111.103 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.13 -61.48 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.945 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.6 mt -55.26 -49.66 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.927 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -54.75 -35.86 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.909 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -39.97 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 60.35 111.147 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -59.65 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.096 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.39 -35.82 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -52.62 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.24 111.132 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.65 -34.5 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.923 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.6 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 70.41 111.13 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.63 -33.41 5.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 74.14 112.455 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -53.4 154.18 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.343 . . . . 75.45 110.92 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -98.23 88.2 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -95.65 139.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.25 111.092 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -132.01 131.39 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -96.43 138.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 71.24 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.71 178.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 75.01 111.063 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.39 13.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.111 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.36 148.96 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.904 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.18 -32.15 35.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 71.03 112.505 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.06 -47.66 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 73.31 110.887 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.16 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -50.03 48.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 71.55 112.473 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -47.39 70.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 74.33 110.92 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.69 -35.69 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.34 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.92 -27.93 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 70.22 110.931 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.21 111.119 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.69 -29.56 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 -26.94 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 71.51 111.113 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -104.69 -34.83 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.116 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.99 86.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 72.51 111.053 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -88.02 -179.87 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.937 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -32.78 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.913 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tt -143.78 127.29 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.902 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.2 t -112.6 148.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.152 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -135.73 114.01 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.94 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -130.86 144.58 51.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.153 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 70.12 110.858 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.739 0.304 . . . . 74.3 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.41 -26.72 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.85 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -49.79 -30.1 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.9 mt -47.99 -35.54 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 75.34 111.09 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.19 77.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.098 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.19 -36.06 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.13 111.095 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.15 -35.27 66.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 65.22 110.908 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.86 -51.03 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.05 -35.22 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.887 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.85 153.77 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -95.79 33.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.83 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.99 -32.3 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.31 111.085 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -111.87 -22.63 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.35 110.934 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.11 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 62.5 111.05 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.54 -34.84 46.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.0 m -59.56 133.06 88.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.571 0.7 . . . . 73.33 111.159 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 136.66 33.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.691 2.261 . . . . 72.54 112.367 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.9 mm -128.72 128.68 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 71.23 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -123.92 118.57 27.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 74.1 110.936 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.6 p -103.88 134.07 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.088 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.31 110.91 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -152.45 162.17 41.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.158 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t -103.88 -34.73 8.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 71.32 111.147 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.59 118.92 37.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.943 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.24 55.17 4.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 73.55 112.512 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 142.05 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 73.13 110.847 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.15 -36.52 82.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.866 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.37 93.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.093 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.02 -38.22 85.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.925 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -52.07 -36.69 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 73.22 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.69 -35.14 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 61.53 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -61.25 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 73.12 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.47 -44.69 62.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 71.03 111.065 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -69.24 -35.73 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.862 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.94 -41.77 92.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 73.55 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.51 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.103 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.15 38.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 73.14 112.459 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.84 139.02 35.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.381 . . . . 72.52 111.068 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -51.58 -64.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.131 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.87 174.89 30.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 74.4 112.524 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.33 164.85 28.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.801 0.334 . . . . 75.54 110.93 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -144.13 160.29 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 73.45 111.096 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.68 129.45 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 54.31 110.871 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.74 160.02 83.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 74.12 110.893 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.78 161.82 85.46 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 -1.805 . . . . 74.04 112.349 -0.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.6 mm -113.05 137.4 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.15 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.67 152.07 59.41 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 74.04 110.896 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -34.75 13.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 73.54 112.325 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.82 -38.07 60.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 62.22 112.511 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.18 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 72.24 111.124 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 tp -51.5 -38.29 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.877 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.98 -28.68 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 62.42 111.145 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -69.27 -45.43 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.86 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.32 -38.84 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.48 -32.57 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.089 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.5 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 60.32 111.09 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.0 t -50.65 -32.67 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.157 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.53 -35.53 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.931 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.885 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.722 0.296 . . . . 73.44 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.0 mt -51.56 146.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 75.45 111.105 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -122.54 -35.64 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.2 p -143.43 157.45 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.23 111.132 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mt -145.3 148.31 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.143 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -132.74 135.11 45.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.925 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.36 156.62 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.032 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -140.59 108.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.141 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.36 168.71 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.27 -58.22 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 63.54 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -54.46 128.7 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.87 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.1 111.115 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -62.69 -38.99 92.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.31 111.155 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.67 -47.99 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.894 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -52.01 -37.14 52.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 64.43 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.97 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.076 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.07 -62.16 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.922 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 mt -58.11 -35.83 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.895 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -64.63 -36.15 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.868 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.5 -37.67 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 61.53 111.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -61.39 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.153 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.74 -36.58 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.912 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.97 -52.86 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 53.24 111.109 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.12 -34.45 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.917 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.86 -20.58 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 64.54 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.39 -33.54 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 71.24 112.452 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -54.28 153.86 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 74.15 110.882 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -96.64 78.21 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.41 110.926 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.36 136.31 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.11 111.133 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.7 m -133.22 144.43 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.14 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 m -111.23 139.51 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.88 -175.97 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 73.31 111.105 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -44.32 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.085 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -149.81 177.49 9.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 64.55 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.24 -33.04 68.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 51.53 112.513 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.2 -48.16 30.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 74.14 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.75 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.09 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.68 -51.41 6.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 73.53 112.521 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.27 -41.44 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 72.33 110.861 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.21 -44.36 83.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.8 -35.06 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 70.21 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.24 37.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 64.35 111.058 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.93 -29.55 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 63.11 111.122 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.56 -27.78 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 65.13 111.126 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -101.43 -35.19 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.05 111.133 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.13 84.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.097 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -86.12 169.78 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.927 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.04 -35.35 31.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.879 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.3 137.28 35.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.947 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -124.39 139.63 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.137 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -124.51 109.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.946 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 t -120.57 162.55 19.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 63.51 111.125 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.876 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.775 0.322 . . . . 75.02 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.71 -30.19 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 62.25 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -49.47 -33.91 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.88 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.5 mt -49.96 -40.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.33 111.16 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.6 81.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 75.11 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.69 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.082 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.3 mp -79.81 -34.99 39.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -65.72 -48.37 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.79 -34.52 65.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.03 156.98 38.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.45 35.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.41 -32.32 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 70.02 111.128 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -111.14 -24.73 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 73.25 110.929 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.28 -38.34 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 70.44 111.078 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.92 -35.26 57.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 78.3 m -53.86 125.61 47.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.588 0.709 . . . . 74.1 111.128 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.0 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.698 2.265 . . . . 72.53 112.373 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.8 mm -81.35 136.2 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.137 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.0 mt -128.68 115.06 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.931 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.55 147.72 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 72.14 111.085 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.59 151.12 19.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.943 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -134.97 165.37 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.164 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.5 p -96.66 -51.11 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 73.14 111.135 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -104.83 136.67 43.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.12 4.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 72.31 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -99.72 146.02 27.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 55.31 110.893 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.43 -36.44 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.85 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.08 -35.92 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 64.43 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.75 -37.48 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.903 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -51.95 -35.73 47.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.23 74.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 60.11 111.103 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.2 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.066 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.82 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 61.04 111.037 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -75.43 -35.85 60.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.79 -37.41 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.7 81.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.53 111.083 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.18 33.48 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 72.43 112.477 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.43 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 73.55 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -90.11 -59.34 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 75.44 111.113 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.93 169.96 23.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 53.23 112.474 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.52 164.3 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 75.13 110.949 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.08 169.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 72.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.46 115.33 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 3.9 pttm -77.52 157.57 79.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 71.42 110.922 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 175.69 35.55 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 -1.8 . . . . 74.0 112.328 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.9 mm -114.28 148.14 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.141 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.93 159.2 34.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 72.52 110.859 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -33.03 17.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 74.12 112.39 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.95 -33.37 41.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 73.21 112.517 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.77 -31.25 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.04 111.109 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tt -72.0 -33.62 68.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 70.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.5 t -79.88 -43.2 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.161 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -32.18 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.846 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.9 mt -69.04 -39.27 79.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.933 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.14 -33.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.162 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.05 -55.21 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.096 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.7 -35.5 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 75.53 111.105 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.19 -39.41 65.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 62.12 110.967 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.3 110.832 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.707 0.289 . . . . 73.22 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.35 106.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 73.1 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -93.97 -50.39 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.856 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.26 166.34 24.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 72.04 111.113 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mt -145.44 149.19 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.04 111.138 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.3 tp -132.03 130.94 42.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.48 119.09 23.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.21 111.069 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.69 108.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.35 111.152 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.97 171.97 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.837 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -104.41 -40.12 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -71.93 118.61 15.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.885 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.95 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.13 111.104 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -64.21 -44.56 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 71.05 111.159 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -65.89 -50.11 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.909 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -51.88 -35.93 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.882 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.24 -37.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.53 111.122 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.97 -61.03 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.97 -35.59 75.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.939 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -66.7 -39.07 87.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.88 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.061 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -51.46 -39.01 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 71.34 111.142 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.3 mt -83.68 -36.89 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.92 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.6 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.41 111.089 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -57.8 -33.75 68.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 63.13 110.946 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -20.82 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.076 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.63 -31.88 6.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 72.31 112.506 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.51 154.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 75.43 110.949 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.58 76.22 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -88.12 143.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 73.1 111.135 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.5 m -141.94 149.12 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.34 111.128 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.99 138.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 64.52 111.098 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.26 -178.27 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.148 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.88 -35.79 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.34 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -152.19 160.13 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.884 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.14 -32.63 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 74.35 112.511 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.42 -52.29 23.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 71.33 110.906 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.96 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 71.3 111.089 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.59 -49.35 44.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 71.14 112.533 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -48.91 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 62.45 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -51.77 -40.91 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.9 -33.35 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -26.25 27.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 61.32 111.103 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.88 26.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.123 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.53 -27.62 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 75.54 111.158 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -102.85 -36.31 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.25 111.114 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.1 78.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.034 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -82.6 166.85 18.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.428 . . . . 73.14 110.886 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -34.87 32.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 74.13 110.894 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.49 123.41 13.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.921 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.53 145.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 65.25 111.111 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.97 110.73 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 64.44 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.5 t -115.87 162.73 16.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 71.11 111.148 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.906 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.747 0.308 . . . . 75.2 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -51.67 -32.56 30.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.85 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.02 -33.1 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.907 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.38 -40.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.31 111.138 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.81 -39.83 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.45 111.105 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.23 61.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 71.13 111.046 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.98 -33.33 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -67.62 -46.54 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.96 -35.69 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.01 146.03 51.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.871 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.9 t -95.57 34.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.22 -33.02 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.53 -26.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.91 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.26 -38.3 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 64.34 111.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.72 -35.56 57.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.2 m -52.29 126.38 36.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.541 0.686 . . . . 73.13 111.14 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 89.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 73.13 112.348 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -83.08 114.68 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.149 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.73 123.41 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.875 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.38 141.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.34 111.122 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.44 151.33 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.907 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 t -149.45 162.36 40.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 60.22 111.11 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.5 p -122.61 -34.79 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.11 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.99 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.1 41.95 4.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 74.43 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 73.21 110.861 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.36 -35.47 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 71.44 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.04 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.118 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -38.04 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.851 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -51.78 -35.62 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 74.22 110.891 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.99 82.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.24 111.106 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.11 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.44 111.062 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.67 -50.09 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 61.3 111.039 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.878 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.06 -43.33 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.124 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.89 36.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 74.12 112.475 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.29 163.03 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 74.45 111.092 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -86.67 -63.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.105 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.02 13.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 53.05 112.5 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.75 168.96 18.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 74.12 110.907 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -151.03 159.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.121 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -112.99 117.77 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.875 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 mptt -75.22 159.3 82.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 75.23 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 166.2 74.64 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.664 -1.807 . . . . 75.45 112.393 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.3 mm -108.8 138.72 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 73.43 111.13 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.0 156.1 42.59 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.625 0.726 . . . . 74.5 110.843 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.74 15.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 74.02 112.323 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.26 -33.31 64.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 74.24 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.89 -42.26 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 72.44 111.109 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.65 -37.27 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.908 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.1 t -80.03 -28.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.108 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.33 -43.79 63.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.914 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.3 -34.52 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 73.05 110.944 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.2 p -84.6 -34.13 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.21 111.153 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.3 -53.96 30.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.08 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -51.69 -34.87 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 63.4 111.165 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.48 -46.95 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.33 110.95 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 65.23 110.879 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 74.31 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.44 105.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.52 111.113 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -94.55 -45.57 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.881 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -141.04 161.56 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 75.33 111.139 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.5 mt -142.17 144.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.111 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.39 131.21 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.946 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.91 152.4 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 63.24 111.089 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -140.72 121.02 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 70.24 111.112 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.61 171.66 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 75.2 110.848 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -110.2 -37.71 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -72.72 119.93 17.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.814 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -38.16 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.112 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.42 111.133 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.7 mmt -70.69 -46.44 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -58.71 -36.85 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.04 -46.26 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 64.23 111.079 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.33 -62.2 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.953 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.52 -46.84 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.896 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -57.55 -39.07 75.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 71.51 110.857 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -38.34 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 63.1 111.088 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.77 -51.61 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 75.24 111.126 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.23 -36.94 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.888 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.66 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 72.11 111.041 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -55.64 -34.71 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.3 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.59 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 70.5 111.096 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.57 -35.78 4.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 73.23 112.53 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.98 154.82 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 73.13 110.914 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -98.32 86.56 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -97.24 143.63 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.21 111.145 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -134.31 141.1 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.83 139.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.098 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.41 179.88 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 71.2 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.0 -35.99 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.72 159.04 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.04 -32.75 35.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 74.15 112.487 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.26 -46.12 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.22 110.939 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.25 74.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.22 111.13 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.38 -51.27 13.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 74.33 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.85 -49.76 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 74.14 110.861 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -52.13 -42.82 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -76.89 -34.66 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 75.4 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.75 -25.86 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.108 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.72 -28.87 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 62.11 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -27.93 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 52.41 111.152 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m -101.47 -36.3 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.22 111.144 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.11 72.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 62.2 111.132 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -74.42 172.79 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.935 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.15 -35.16 25.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 71.52 110.842 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 tt -141.56 130.62 23.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.949 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.5 t -111.45 148.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.15 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.62 119.6 13.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.937 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 t -126.09 151.18 47.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.13 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.858 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 73.45 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -51.2 -31.36 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 71.34 110.836 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.46 -33.09 19.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mt -50.57 -35.09 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.43 111.113 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.0 -54.19 26.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.071 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.68 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.25 111.138 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.84 -34.23 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.97 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -66.66 -43.38 84.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.89 -35.09 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.5 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.92 147.06 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 70.45 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 m -95.75 34.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.25 110.825 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.3 -32.75 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 72.52 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.77 -25.29 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.1 110.908 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.42 -38.52 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.33 111.129 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.99 -35.34 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 63.42 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.5 m -56.93 126.11 71.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.608 0.718 . . . . 72.42 111.184 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 109.95 2.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 73.45 112.327 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.48 127.83 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.163 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -122.96 113.97 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.943 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.39 148.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.147 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mp -98.3 151.28 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -130.31 156.39 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.173 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.9 p -87.54 -36.36 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.172 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.91 144.3 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.29 55.25 5.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.514 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -91.94 144.91 24.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 73.53 110.911 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.87 -36.75 83.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 53.14 110.918 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.31 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.11 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.44 -41.2 89.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.841 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -51.88 -35.9 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.15 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.33 -61.23 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.09 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.62 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -67.91 -35.56 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.885 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.08 -44.13 97.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 55.23 110.883 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.43 84.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.1 111.066 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.7 42.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 53.13 112.516 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.84 143.95 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.03 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.1 m -73.58 -58.98 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.105 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.39 168.66 24.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 71.04 112.462 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.69 165.94 25.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 74.51 110.958 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.0 169.78 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.114 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.76 107.14 17.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 70.05 110.855 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.491 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.5 159.48 77.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 72.05 110.877 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 171.84 51.65 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.794 . . . . 65.31 112.366 -0.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.3 mm -116.03 144.37 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 75.35 111.152 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.98 157.94 38.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 71.33 110.889 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -32.79 17.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 64.45 112.351 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.97 60.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.472 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.43 -38.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 72.21 111.087 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.29 -52.88 60.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 73.4 110.953 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.48 -35.1 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.3 111.146 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.43 -35.89 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.841 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.28 -36.3 81.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.17 -34.68 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.108 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.23 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.41 111.077 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 t -51.54 -35.23 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.088 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.29 -36.12 40.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.9 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.84 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.776 0.322 . . . . 74.0 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -51.94 116.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.13 111.134 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -43.67 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 65.13 110.922 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -143.67 167.62 21.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 72.14 111.1 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.6 mt -142.19 144.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.095 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.91 131.62 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.937 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.56 148.82 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.139 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.12 131.25 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 73.13 111.087 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -161.01 169.4 22.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 70.51 110.865 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.97 -49.74 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.888 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -54.14 104.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.881 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.86 65.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.053 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -61.67 -35.91 79.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.132 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.5 tpt -65.15 -55.1 20.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.908 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -52.71 -36.32 57.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.44 -39.08 85.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.116 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.64 -55.53 17.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.925 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.81 -35.47 76.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.945 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -68.87 -42.18 77.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.831 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.73 -46.78 57.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.53 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -50.99 -40.92 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.24 111.132 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -84.85 -34.86 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.946 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -51.02 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.24 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.08 -36.3 65.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -20.95 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 60.12 111.084 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.97 -31.24 6.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 63.13 112.495 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -50.64 152.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 65.31 110.941 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -103.0 92.8 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 t -89.67 158.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 71.35 111.151 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.6 m -146.68 109.8 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 72.53 111.172 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.48 138.59 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.114 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.47 -175.73 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.25 111.095 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -35.06 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.098 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -140.97 161.37 37.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.4 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.58 -32.85 79.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.484 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -69.3 -48.95 60.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 72.11 110.893 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.51 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.062 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.48 -43.89 23.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 73.42 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.5 -44.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 74.21 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -51.73 -35.46 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 54.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -84.55 -33.33 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.11 -26.18 26.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 70.32 111.071 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.93 -28.26 26.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 65.52 111.077 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.19 -27.88 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 74.31 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -101.86 -35.49 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.32 111.172 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.97 71.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -68.87 176.06 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.937 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.89 -34.32 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.868 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.89 123.96 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.922 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.3 t -113.31 147.64 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.101 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.07 144.93 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 t -143.19 135.45 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 65.51 111.197 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.32 110.856 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.815 0.341 . . . . 74.55 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -51.63 -29.21 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.867 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -48.59 -34.65 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -50.72 -42.83 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 70.54 111.157 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.95 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.23 111.113 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.14 73.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.13 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 mt -78.46 -34.25 47.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 70.13 110.95 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -63.21 -50.63 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -56.0 -35.41 66.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.67 153.43 42.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.9 t -95.53 34.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.03 110.837 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.82 -31.91 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.069 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -112.38 -24.38 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.916 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.55 -36.4 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.6 -34.64 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.854 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.9 m -55.37 133.03 70.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.558 0.694 . . . . 70.32 111.111 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.46 19.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 73.0 112.345 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.2 mm -129.87 125.79 61.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.17 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -117.82 120.58 38.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 65.5 110.93 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.6 p -104.41 132.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.15 111.119 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 mp -84.36 151.98 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.02 110.938 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -146.09 156.56 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 72.53 111.126 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.5 p -109.47 -35.56 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.53 111.161 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.99 -74.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.63 40.68 3.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.506 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.57 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 72.42 110.852 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.1 -45.4 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.886 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.82 -38.04 54.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.12 111.108 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.65 -44.93 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.63 -35.92 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 75.53 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.05 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.31 111.081 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.34 -59.99 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 62.51 111.095 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.99 64.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.095 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -65.04 -35.24 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.846 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.881 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.35 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.125 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.24 33.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 55.24 112.507 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 134.49 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 63.22 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.5 m -53.93 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 74.24 111.169 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.97 -179.93 16.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 75.22 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.07 169.69 17.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 74.23 110.931 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.8 162.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.14 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.38 136.18 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -82.98 160.98 59.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 73.23 110.9 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.74 176.38 32.77 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 -1.809 . . . . 75.11 112.367 -0.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mm -112.89 138.02 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.15 111.156 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.82 154.6 39.81 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.642 0.734 . . . . 75.44 110.845 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.35 22.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 74.43 112.332 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -37.26 47.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 74.02 112.486 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.04 -46.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 74.13 111.108 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.1 -55.65 25.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.949 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.09 -48.9 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -54.86 -39.92 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.26 -35.05 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 75.15 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.4 -35.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 111.123 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.4 -54.35 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.23 111.092 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.28 -34.58 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.135 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.8 mt -77.6 -35.91 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.875 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.881 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 ttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 74.34 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.07 113.74 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.45 111.123 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -89.7 -44.56 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.864 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.8 p -152.07 172.98 15.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.134 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.6 mt -142.75 148.73 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.129 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 tp -129.4 119.1 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 71.32 110.875 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.39 115.32 18.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 72.21 111.075 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.96 134.48 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.22 111.121 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -157.03 154.5 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 62.25 110.839 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.96 -42.39 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.832 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.67 112.69 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.874 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -35.57 44.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 71.33 111.107 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -64.91 -43.69 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 53.53 111.085 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 ttp -69.36 -49.66 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 64.14 110.89 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -51.87 -38.24 55.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.903 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.08 -44.2 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.066 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.41 -62.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.927 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.84 -46.7 87.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 75.51 110.904 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -52.0 -43.85 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.843 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.22 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.098 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -51.13 -52.97 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.172 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mt -78.4 -40.65 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -49.41 61.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 61.11 111.128 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -64.52 -32.49 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 74.52 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -20.85 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.4 -41.04 1.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 51.34 112.486 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -51.87 154.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 73.34 110.899 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -104.6 104.43 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 55.53 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.74 161.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.04 111.145 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -150.85 115.46 5.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.16 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -95.35 138.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 74.12 111.158 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.12 -175.79 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 65.53 111.107 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.28 -35.09 59.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.096 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -154.68 168.08 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 65.34 110.876 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.65 -32.3 73.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 53.23 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.89 -47.75 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 72.24 110.918 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.44 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.72 -49.75 28.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.439 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.88 -48.69 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 64.43 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -51.08 -35.79 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.35 -31.02 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 63.22 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.89 -25.17 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.03 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.65 -26.1 30.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.129 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -28.04 19.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -100.98 -36.93 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.179 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.12 80.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.088 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -82.56 -177.87 6.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.923 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.41 -31.86 11.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.879 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.78 124.47 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.906 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.65 140.83 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 64.24 111.145 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -131.73 130.94 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 64.51 110.885 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.6 t -131.97 162.71 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.53 111.118 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.856 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.763 0.316 . . . . 74.2 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -28.18 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 71.55 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -49.72 -31.05 10.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.893 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mt -47.54 -35.05 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.5 111.094 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.31 -47.66 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.15 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 -34.21 72.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 65.25 111.118 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.6 -30.93 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.934 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.868 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.54 25.08 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.32 110.918 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -18.05 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t 64.0 29.47 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.31 -34.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.071 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -111.75 -22.16 11.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.88 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.01 -40.13 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.14 111.109 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -76.7 -33.91 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 61.03 110.907 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.5 m -51.07 133.6 30.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 72.23 111.138 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 112.93 3.23 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.646 2.231 . . . . 75.43 112.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.6 mm -113.28 132.69 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.114 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -123.3 118.34 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 71.53 110.886 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 p -104.51 133.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.101 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.31 149.73 25.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 70.42 110.912 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 t -126.34 142.04 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.136 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -51.72 -60.83 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -117.47 -49.28 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.41 50.21 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 72.23 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.99 147.82 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 62.24 110.883 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.65 -36.57 84.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.854 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.8 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.43 111.137 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.91 -36.51 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 61.45 110.925 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -51.77 -36.9 49.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 73.43 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.89 -35.53 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 71.14 111.098 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -60.07 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.093 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -47.69 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 64.2 111.141 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -65.97 -35.56 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.875 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.67 -41.97 87.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 65.53 111.119 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.99 33.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 62.35 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.55 143.9 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 70.02 111.074 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.9 m -57.19 -73.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 74.25 111.127 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.79 178.6 18.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 64.53 112.461 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.78 164.08 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 73.35 110.916 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.55 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.21 111.107 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.78 142.52 34.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.881 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.469 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -101.1 161.43 23.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.525 0.678 . . . . 75.03 110.922 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 175.42 36.5 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 -1.793 . . . . 75.4 112.339 -0.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.3 mm -115.99 140.53 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.151 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.55 154.99 73.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 72.5 110.845 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -33.29 16.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 74.31 112.343 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -42.94 32.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 64.44 112.495 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.52 -50.11 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 73.24 111.138 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.1 tp -51.73 -51.02 59.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.935 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.84 -34.26 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.2 111.144 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.83 -37.43 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 63.2 110.881 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 8.9 p -84.43 -33.81 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.111 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -54.11 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.2 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.46 -34.64 36.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.137 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -79.13 -35.93 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 64.15 110.924 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.833 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.742 0.306 . . . . 75.52 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.2 105.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.161 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -42.47 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.826 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.3 p -149.18 155.32 40.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.04 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.8 mt -134.93 146.19 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.53 111.156 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.61 129.96 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.923 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.15 125.93 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.086 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp -123.15 121.47 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 74.2 111.143 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -144.32 167.45 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.884 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -86.87 -53.09 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.869 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -64.93 126.08 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.855 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 61.01 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -57.77 -44.88 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.199 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 ttt -58.69 -55.62 32.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 73.53 110.87 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -54.24 -36.14 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.51 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.72 -41.3 65.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 71.52 111.109 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.35 -59.64 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.911 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.1 mt -51.6 -36.62 46.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -63.37 -41.47 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.862 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.07 -42.64 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.147 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -51.92 -42.99 63.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.137 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.04 -35.93 23.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.92 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -52.7 64.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.115 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.7 -34.46 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 72.54 110.909 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.6 65.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.26 -34.04 5.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 70.35 112.486 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -51.85 155.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 75.05 110.952 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -97.45 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 p -88.04 144.0 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.125 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.0 m -140.92 145.27 35.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 65.34 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.35 140.56 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.53 111.131 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.8 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 70.14 111.14 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.18 -35.79 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 74.1 111.107 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.7 166.14 33.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.887 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.44 -34.58 49.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 74.35 112.452 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -77.91 -36.85 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 72.42 110.896 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.89 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.45 111.081 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.68 -47.7 7.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 62.25 112.441 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.89 -47.65 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 75.32 110.907 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.95 -40.05 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.9 -34.28 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.937 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -19.98 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.51 111.085 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.74 -22.7 59.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 73.14 111.118 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.82 -29.38 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.13 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -99.15 -42.93 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.44 111.116 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 91.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 72.31 111.107 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -88.41 162.32 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -34.86 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.845 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.4 140.49 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.889 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.3 t -136.71 139.57 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.122 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 tp -127.27 128.95 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.904 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 t -113.37 158.53 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 74.03 111.132 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.878 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.794 0.331 . . . . 64.35 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.85 -28.69 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.01 110.887 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 tp -48.97 -33.08 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.888 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.1 mt -49.71 -39.69 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 73.23 111.127 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.87 -42.33 75.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.115 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.33 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.23 111.097 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.67 -27.09 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 73.2 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -94.86 24.32 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.972 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.31 -21.92 15.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.872 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t 64.36 29.67 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.51 -35.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 74.43 111.115 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -111.47 -25.56 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.858 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.83 -36.12 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 74.55 111.091 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.7 -33.48 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -50.76 134.15 27.61 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.592 0.711 . . . . 73.42 111.149 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 105.7 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.751 2.3 . . . . 72.45 112.297 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.4 mm -110.11 135.61 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.112 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -122.74 119.92 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.25 110.903 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.48 142.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.102 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -84.08 149.94 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.932 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -139.28 164.4 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 73.53 111.162 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.6 p -99.66 -35.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 70.34 111.095 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -128.53 142.97 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.25 55.11 4.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 62.01 112.501 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.78 147.28 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 72.21 110.878 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.11 -36.67 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.83 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.9 -37.0 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 63.22 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.1 -42.27 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 75.51 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -52.04 -36.02 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.88 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.66 80.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.12 111.056 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.21 -60.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 73.33 111.073 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.66 -42.87 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 71.42 111.046 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -67.73 -36.08 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -70.55 -40.74 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.46 87.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 64.52 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.16 33.68 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 73.04 112.467 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.2 141.98 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 74.53 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -64.7 -66.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.151 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.73 -179.64 16.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 50.2 112.477 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.35 163.48 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 73.21 110.911 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.34 170.52 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.096 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -100.93 138.6 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.493 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.4 ptmt -103.4 158.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.562 0.696 . . . . 74.33 110.924 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.0 Cg_endo -69.68 175.66 35.43 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 -1.793 . . . . 75.35 112.356 -0.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.96 149.94 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.069 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.94 158.17 42.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 70.34 110.909 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -36.77 10.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 60.41 112.321 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.34 55.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 75.23 112.513 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.6 t -79.06 -34.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 61.31 111.113 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 tp -70.53 -40.89 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 71.04 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.51 -49.76 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.096 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.56 -32.89 69.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 75.03 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 37.5 t -84.21 -34.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 71.42 111.13 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.87 59.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.3 111.111 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -51.43 -33.3 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 62.41 111.171 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.73 -34.94 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.924 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.848 -179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 75.35 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.6 mm -52.97 113.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 62.32 111.113 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -43.2 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.45 110.871 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 p -143.98 159.91 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 71.02 111.175 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.5 mt -136.43 145.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.45 111.134 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.22 132.81 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.957 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.58 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.055 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mp -141.17 131.09 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.119 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.49 171.22 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.05 110.881 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -106.3 -36.44 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -79.64 116.21 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.04 110.805 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.17 41.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.051 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -57.63 -50.1 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.152 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -51.63 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.02 110.866 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.04 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.847 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.98 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 70.32 111.098 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.46 -62.03 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.948 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 mt -56.99 -47.25 81.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.914 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -59.38 -38.84 81.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.867 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.49 -50.33 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.147 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -50.65 -45.47 57.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 60.02 111.124 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.12 -37.16 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 64.01 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.27 76.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 62.42 111.094 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -61.08 -32.65 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 -20.67 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.35 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.31 -32.41 6.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 74.24 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -51.98 154.23 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 74.3 110.945 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.0 100.67 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 t -97.95 159.86 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.114 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.7 m -145.8 111.13 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 71.52 111.174 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.54 138.6 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 70.2 111.147 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.05 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.52 111.087 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.41 -35.06 17.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.096 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.05 162.86 35.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 71.55 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.6 -31.7 75.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 75.22 112.444 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.81 -42.48 81.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 71.44 110.89 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.23 -34.69 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.24 111.092 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.92 -50.41 13.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 65.22 112.516 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -48.5 75.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 74.45 110.907 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.36 -35.4 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.09 -27.54 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 71.34 110.894 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.13 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 63.03 111.099 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.01 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 72.23 111.075 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -27.18 29.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 53.43 111.156 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -103.1 -34.46 8.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 74.22 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.86 91.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.33 111.099 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -92.83 -174.89 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.941 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 -34.16 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.855 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -140.9 132.93 27.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.937 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.16 135.53 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.179 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -124.59 117.34 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.3 110.912 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -118.56 135.89 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 64.32 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.81 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.761 0.315 . . . . 75.51 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.95 -27.13 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 62.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.04 -29.12 8.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.868 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.9 mt -47.22 -34.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.149 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.64 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.115 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.49 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.4 111.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.47 -32.22 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.91 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.19 -47.42 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.872 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -67.5 -34.67 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 70.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.88 150.73 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.915 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -95.3 34.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.858 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.65 -33.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 75.01 111.087 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.55 -22.72 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.1 110.969 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.62 -39.67 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 64.22 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.05 -34.74 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.01 110.914 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.6 m -58.19 132.36 84.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 74.22 111.174 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 74.34 112.319 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -113.15 126.33 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 73.42 111.088 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -123.4 114.41 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 71.23 110.943 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.4 p -104.5 147.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 73.44 111.101 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.05 151.47 21.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.975 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -131.39 162.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 55.22 111.117 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.9 p -106.7 -41.38 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.141 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.42 -67.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.6 33.97 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.53 112.501 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.46 176.45 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 74.53 110.849 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.11 -36.79 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.857 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.97 76.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.12 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.51 -41.36 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.5 110.908 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -51.95 -35.86 47.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 75.35 110.877 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.96 75.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.55 111.051 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.73 -61.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.35 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.92 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 70.3 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.2 ttm-85 -73.32 -35.81 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.14 -44.1 89.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.873 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.31 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 52.24 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.43 32.88 1.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 75.32 112.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.5 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 74.15 111.124 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.2 m -59.79 -70.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.158 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.95 172.16 21.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 74.33 112.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.21 166.62 24.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 75.13 110.92 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.63 161.94 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.116 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -110.46 105.89 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -54.93 160.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 75.44 110.882 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.8 173.04 46.37 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 -1.798 . . . . 75.14 112.342 -0.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mm -117.11 145.0 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.34 111.164 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.28 156.76 37.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 74.51 110.867 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -32.64 18.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 70.04 112.38 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.52 -37.66 62.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 71.22 112.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.42 -42.75 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 71.41 111.138 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.17 -54.39 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 62.43 110.893 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.62 -46.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.44 111.119 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -54.88 -38.44 67.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 44.2 110.891 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.23 -34.25 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.918 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.13 -34.01 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.164 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.77 22.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 73.33 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -51.17 -33.7 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.143 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.18 -46.88 21.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.912 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 54.15 110.908 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 73.4 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -71.93 130.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 74.34 111.083 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.4 -48.66 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.867 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.43 150.38 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.118 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.9 mt -133.02 144.93 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 73.42 111.115 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.8 tp -128.57 138.69 52.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.919 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.33 145.75 49.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.44 111.077 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -141.03 108.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.33 111.181 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.01 169.92 12.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.15 110.858 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -95.16 -36.32 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -86.75 122.88 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.884 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.42 47.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 75.05 111.144 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -58.37 -47.05 85.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -49.44 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 74.0 110.892 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -36.44 51.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.01 110.843 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.03 -42.69 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 65.03 111.103 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -55.72 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.3 mt -57.63 -36.15 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.2 110.934 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -65.22 -38.49 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.862 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.17 -45.97 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 73.01 111.131 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -51.67 -47.58 63.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 71.31 111.127 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.37 -36.81 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.878 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -53.01 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 52.13 111.08 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -56.45 -34.09 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.893 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.61 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.43 111.09 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.34 -33.13 5.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 53.32 112.462 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -52.36 154.4 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 74.51 110.908 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -96.11 80.53 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 75.21 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.3 p -90.66 143.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.55 111.143 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m -139.11 145.6 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.33 111.178 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -107.08 149.68 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.54 111.115 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.82 179.05 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 54.21 111.115 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.54 -35.64 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -151.52 155.63 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.3 -32.29 36.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.49 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.06 -48.28 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 73.34 110.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -35.05 78.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.061 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.39 29.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 74.12 112.469 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 74.55 110.874 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -52.33 -37.02 54.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -84.76 -33.29 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.66 23.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.55 111.097 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.86 -27.9 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 73.32 111.1 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -27.68 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 70.13 111.16 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -102.0 -36.43 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.22 111.173 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.73 74.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.111 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.58 174.56 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.913 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.54 -33.9 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 74.52 110.864 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.42 123.71 19.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.896 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.3 t -116.58 141.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -134.14 110.17 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.92 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 t -104.92 161.59 14.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.5 111.142 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.36 137.65 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 63.23 110.857 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.78 -177.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.903 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -141.01 63.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.921 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 ttt 63.43 67.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 74.22 110.894 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.76 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 73.13 112.331 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -135.55 -41.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.818 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.98 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 70.41 110.894 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -89.06 -170.29 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.87 -79.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 72.14 112.474 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.6 mt -52.03 -33.89 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 73.12 110.933 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -50.77 -31.85 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 72.35 110.898 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.47 -32.62 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.92 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.7 mt -50.13 -35.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.102 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.13 -50.26 74.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 42.04 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.56 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.93 -35.02 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.52 110.925 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -67.83 -49.82 60.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 64.04 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.19 154.67 40.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.924 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.56 35.12 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.843 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.49 -32.28 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.04 111.082 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -111.7 -24.64 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.898 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.44 11.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.31 111.107 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.93 -34.73 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.864 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.3 m -57.7 133.79 82.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 75.41 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 134.28 27.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 75.04 112.357 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.5 mm -130.04 128.03 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.54 111.113 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -122.1 118.03 27.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.862 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 p -104.31 133.5 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.104 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.14 151.12 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 64.04 110.919 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.7 t -134.34 169.75 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.163 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 t -131.32 -39.41 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 71.55 111.119 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -73.02 -35.84 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.886 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.93 43.59 98.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 73.24 112.484 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.72 165.09 12.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 75.21 110.831 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.54 -36.38 38.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.81 79.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.095 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -61.5 -36.75 81.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -51.89 -35.81 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.32 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 70.15 111.101 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.99 -57.87 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 74.04 111.117 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -43.07 62.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 64.2 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -70.28 -35.79 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.92 -44.02 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.3 76.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.178 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.54 33.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 65.14 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.28 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 64.52 111.105 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 m -56.15 -71.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 71.21 111.12 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.21 -179.46 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.24 163.9 29.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 75.53 110.93 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.86 170.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.42 . . . . 74.02 111.158 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.92 132.58 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -88.98 158.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 74.12 110.858 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.1 Cg_endo -69.75 175.51 36.25 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 -1.804 . . . . 74.3 112.375 -0.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 26.8 mm -115.73 138.97 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 71.51 111.142 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.95 156.12 60.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 75.45 110.833 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -33.59 16.2 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 73.25 112.39 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.04 65.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.798 -0.715 . . . . 73.22 112.493 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.5 t -80.9 -47.21 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 74.54 111.127 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.35 -55.54 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.917 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.19 -35.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.144 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.89 -38.22 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.05 -36.23 83.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.1 p -84.39 -34.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 73.43 111.125 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.46 27.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 73.25 111.094 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.33 -34.49 33.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.11 -35.97 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.947 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 p -66.5 -39.13 88.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.847 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.8 153.58 83.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 75.12 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 72.14 112.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -122.5 147.56 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.084 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -170.48 69.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.52 111.083 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.912 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 70.25 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.6 mm -65.35 108.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 64.11 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -95.44 -41.86 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.863 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.5 p -144.43 159.35 42.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.119 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.2 mt -141.84 147.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 71.14 111.123 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tp -131.14 138.78 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.21 110.919 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.76 118.85 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.058 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -110.23 121.42 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 75.31 111.117 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.84 169.45 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.85 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.72 43.45 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 71.0 110.815 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -165.53 123.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.865 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -37.58 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.22 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -59.95 -49.84 76.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.124 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 tpt -68.95 -49.1 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.887 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -53.88 -37.29 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.839 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 -44.93 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 74.11 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.33 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.94 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.87 -49.45 76.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -51.91 -36.98 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.55 -46.21 33.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 73.42 111.072 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -51.17 -40.94 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.151 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 mt -83.92 -33.77 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.141 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.83 -37.29 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.933 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -20.7 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.88 -31.56 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 61.12 112.478 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -50.34 153.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 74.11 110.881 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -91.18 81.1 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 p -89.51 138.11 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.102 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -136.08 143.37 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 75.14 111.132 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.1 m -110.25 138.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 64.45 111.143 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.1 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 71.5 111.078 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.63 -35.53 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -155.06 160.29 40.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 72.54 110.875 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.19 -32.06 35.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 64.14 112.503 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -69.42 -51.33 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 61.32 110.921 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.29 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 72.24 111.093 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.23 -53.5 5.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.442 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -61.79 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 74.21 110.851 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.4 -39.91 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 mt -85.76 -29.46 23.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.46 -24.29 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.76 -28.3 28.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -28.08 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 62.23 111.194 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -100.16 -36.69 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.13 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 83.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -85.17 177.92 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.948 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.39 -34.1 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 61.31 110.873 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.49 124.13 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.912 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.9 t -119.48 141.98 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.164 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -129.97 131.06 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 71.12 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 t -130.61 162.73 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 73.03 111.166 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -120.69 -69.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.867 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 54.26 78.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 65.31 110.911 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -74.49 -70.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 65.13 110.918 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.6 mtt -73.44 160.42 82.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 73.21 110.871 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.8 19.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.665 2.243 . . . . 71.4 112.349 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -51.32 -35.68 39.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.01 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.15 88.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 75.01 110.905 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -92.35 -169.57 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.842 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.33 -33.97 5.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 64.44 112.473 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp -51.9 -29.88 21.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.746 0.308 . . . . 74.53 110.892 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -50.8 -29.32 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mp -48.9 -33.21 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 77.2 mt -50.02 -40.77 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.34 111.124 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.08 -35.38 64.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.102 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.68 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.31 -33.65 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 70.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.36 -48.23 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 75.13 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -61.55 -35.03 76.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 52.41 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 148.9 45.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.888 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -95.38 35.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.47 -32.34 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 55.21 111.1 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -113.28 -27.47 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.909 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.96 -35.78 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 64.11 111.071 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -83.89 -34.06 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.15 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.5 m -51.71 133.63 36.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 74.22 111.171 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 119.13 6.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 73.45 112.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.2 mm -121.08 131.46 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.34 111.15 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.03 119.39 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.956 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.2 p -104.36 134.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 70.53 111.143 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 mt -83.45 150.24 26.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 t -130.52 162.78 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.142 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -117.83 -35.05 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.098 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.6 -35.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 75.31 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.86 33.01 82.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 53.41 112.515 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.87 161.65 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 70.44 110.819 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.52 -36.28 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.03 82.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.105 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -56.39 -38.52 71.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.862 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -51.89 -35.99 47.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.895 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.059 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 72.34 111.124 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.91 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.12 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -63.87 -35.69 81.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.9 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.07 -41.25 95.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.15 78.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 73.15 111.104 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.46 32.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 71.22 112.47 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.58 143.46 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 73.35 111.104 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.4 m -59.07 -73.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.135 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.93 -179.1 16.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.481 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.37 163.15 31.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 75.43 110.928 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -150.04 170.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.45 111.119 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.87 134.03 48.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 55.12 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 2.1 pttp -96.01 159.12 32.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 73.55 110.914 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.7 175.18 37.39 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.729 -1.78 . . . . 72.1 112.296 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.1 mm -116.39 150.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.32 111.182 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.96 155.63 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.697 . . . . 64.45 110.937 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -34.0 15.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 74.23 112.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.76 -34.59 66.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 42.52 112.495 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.4 t -76.46 -49.52 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 72.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tt -52.83 -58.36 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -53.54 -35.89 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.31 111.123 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.56 -35.78 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.9 mt -68.74 -33.77 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 74.02 110.92 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.8 -34.05 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.35 111.169 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.69 -54.75 20.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 73.12 111.074 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.58 -34.63 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.079 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.32 -45.36 47.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.932 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 p -63.61 -36.22 83.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.3 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.84 160.29 61.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 72.54 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.682 2.255 . . . . 55.04 112.358 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.05 147.95 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 70.05 111.132 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.9 49.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 73.15 111.088 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.5 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.875 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 73.4 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.35 112.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.125 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -93.24 -58.71 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 72.25 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.28 164.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.112 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 52.2 mt -139.12 147.89 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.125 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.16 130.92 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 65.01 110.935 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.89 145.77 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.103 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.71 112.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.12 111.171 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.74 171.88 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.862 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -93.17 -52.5 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 65.35 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 t -67.29 120.72 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.904 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 -38.67 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.15 111.101 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.6 m -59.2 -37.38 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.1 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.35 -45.81 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 71.25 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -57.94 -37.48 74.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.78 -46.57 16.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 43.54 111.075 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.2 -61.92 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.39 -48.17 77.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.929 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -52.31 -41.48 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.08 61.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.13 111.135 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.1 m -51.44 -42.51 61.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.175 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.3 -37.0 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.934 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.79 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.07 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -55.85 -34.08 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 63.42 110.937 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.65 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.23 -32.83 5.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 74.33 112.509 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -52.39 154.46 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 75.33 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -97.75 81.33 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.13 110.873 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -93.27 143.58 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 71.32 111.134 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.4 m -135.55 140.45 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -96.67 138.73 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 74.15 111.131 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.22 -178.38 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.13 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -35.43 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 71.34 111.111 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -156.86 164.66 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.25 110.892 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.91 -31.93 33.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 64.34 112.457 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.13 -52.49 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 73.13 110.908 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.37 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 74.01 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.04 -47.98 35.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 74.12 112.446 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -63.71 -36.06 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 72.22 110.862 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.37 -23.54 59.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.111 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -14.61 59.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 73.04 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t -114.91 -28.59 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -110.24 -40.18 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.106 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.41 98.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 71.42 111.099 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -94.81 162.63 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 74.33 110.919 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 62.42 110.896 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.06 136.55 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.33 136.62 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.112 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -127.17 109.94 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.901 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.6 t -115.52 145.65 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -100.17 85.69 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.1 110.922 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.86 132.45 47.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 72.02 110.87 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -115.86 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.4 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ptp -129.14 157.59 75.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.52 110.852 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.36 2.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 73.31 112.335 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -135.79 144.92 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 74.53 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.34 65.82 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 70.3 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.5 t -168.96 134.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 74.11 110.829 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.4 -80.46 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 71.12 112.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.15 -35.11 61.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 73.41 110.924 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.24 -30.88 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 72.24 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.35 -32.3 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.883 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.7 mt -49.3 -37.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.148 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.05 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 75.22 111.125 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -31.51 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.091 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mt -80.08 -33.88 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -51.71 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.4 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.8 -35.02 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.939 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.48 150.28 45.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -95.2 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.18 -31.93 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 73.25 111.131 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -112.14 -24.78 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.916 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.75 -35.39 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 70.12 111.12 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -83.38 -35.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.1 m -54.19 125.8 51.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 74.32 111.16 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.275 . . . . 71.44 112.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.86 143.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.149 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.9 mt -134.81 117.6 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 72.52 110.941 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 p -104.38 134.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.16 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -83.88 152.11 24.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 75.45 110.938 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -142.38 165.38 27.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 72.41 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 t -100.76 -35.12 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -131.98 148.81 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 74.42 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.3 t -85.05 125.65 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 72.32 110.822 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.72 -36.89 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 74.52 110.848 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.92 72.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -65.18 -40.44 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.834 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -51.95 -36.73 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.66 81.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 74.05 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -53.86 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 54.22 111.063 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.41 111.097 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -68.57 -35.9 78.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.915 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.0 -37.91 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 72.04 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.26 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 53.54 111.066 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.82 38.82 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 72.31 112.536 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.6 147.61 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 72.53 111.112 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -66.9 -61.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.51 111.158 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.82 174.12 25.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 62.34 112.478 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.98 163.67 30.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 75.54 110.896 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.9 158.9 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.01 111.085 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.65 132.03 50.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.919 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 11.0 mtpt -76.9 160.37 76.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 74.45 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.76 176.38 32.84 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 -1.817 . . . . 71.51 112.373 -0.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.5 mm -111.1 138.62 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 75.34 111.144 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.21 155.04 52.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 71.02 110.847 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -31.88 19.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 75.02 112.384 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.14 -43.22 33.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 43.12 112.514 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -66.56 -47.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 74.34 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 tp -55.72 -42.78 75.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.881 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.16 -35.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 74.31 111.147 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -62.87 -35.96 81.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.85 -33.39 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.909 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.0 -32.96 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.09 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.3 -55.71 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 65.21 111.081 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -51.26 -34.37 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.64 -47.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 62.32 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 p -51.99 -35.97 48.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.815 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -102.01 155.87 35.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.685 0.755 . . . . 73.34 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 175.35 8.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 75.43 112.357 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.84 147.34 42.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 55.34 111.096 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.49 66.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.43 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.914 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 73.4 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.0 mm -60.7 103.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.152 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -92.82 -46.61 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.9 p -140.39 160.04 40.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 75.02 111.145 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.0 mt -142.1 146.11 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.133 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 135.71 54.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.905 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.4 146.82 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 53.24 111.117 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.64 114.94 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.141 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.0 165.52 24.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.858 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.42 37.05 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -156.19 122.43 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.7 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 70.43 111.083 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.4 m -63.76 -52.94 58.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.166 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.56 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.877 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -36.23 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.893 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.33 -36.85 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 73.43 111.078 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.97 -61.34 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 74.14 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.42 -35.18 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.922 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -70.05 -39.13 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 70.13 110.88 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.88 47.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -51.43 -44.59 62.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.149 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.7 mt -78.34 -38.31 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 52.1 111.079 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -55.78 -33.93 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 72.45 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.64 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.098 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.2 -32.43 6.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.747 . . . . 63.54 112.489 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -51.91 154.44 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.366 . . . . 74.31 110.932 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.35 76.04 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 65.4 110.906 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 p -90.15 144.15 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.35 111.127 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.1 m -139.73 144.85 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.35 111.142 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -100.04 154.21 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.34 111.151 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.77 -176.97 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 60.32 111.109 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.1 -35.67 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.45 111.097 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -153.47 163.04 40.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 62.33 110.893 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.4 -32.76 38.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 61.51 112.48 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -78.18 -44.98 24.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 72.5 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.04 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.41 111.081 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 -51.42 6.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 61.52 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.93 -46.68 86.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 75.21 110.911 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.77 -40.54 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 75.55 110.859 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -80.49 -34.05 36.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.5 -25.75 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 63.34 111.104 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.85 -29.05 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.41 111.109 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -27.79 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.155 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.71 -34.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.41 111.16 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 88.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.32 111.112 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -91.17 174.46 7.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.943 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -85.5 -36.04 20.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 73.13 110.859 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.25 140.33 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 61.25 110.897 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 t -120.36 149.21 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 73.11 111.092 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.63 116.02 11.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.91 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -123.34 156.96 34.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 61.5 111.174 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -135.43 43.57 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 64.43 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -157.16 144.57 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.935 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -149.59 110.86 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.905 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -168.06 157.54 8.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 73.21 110.878 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.62 21.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 74.42 112.356 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -169.35 154.66 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.35 110.87 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -71.83 -36.68 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.863 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -128.18 134.4 49.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.03 110.866 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.49 -128.28 5.69 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 54.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.04 -35.7 47.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 74.14 110.87 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.62 -32.16 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.41 -32.9 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -50.11 -35.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 74.21 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.66 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.16 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.44 111.082 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.42 -34.76 41.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.04 110.913 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -58.56 -52.07 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.837 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.87 -35.21 66.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 72.34 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.35 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -95.36 35.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.28 -32.16 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 52.33 111.081 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -112.27 -25.87 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 75.11 110.931 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.39 -35.8 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.53 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.16 -35.43 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.886 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.3 m -54.19 125.71 50.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.525 0.679 . . . . 71.23 111.144 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 92.45 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 73.23 112.357 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -80.77 139.31 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.51 111.118 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.9 mt -126.87 118.44 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.923 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.4 p -113.65 147.85 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.156 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.0 mt -94.29 151.23 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.88 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 t -133.0 145.51 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.155 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -94.53 -35.37 12.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 73.12 111.145 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.79 -70.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 73.52 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.62 39.32 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 65.54 112.518 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -113.38 166.91 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 73.34 110.872 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.18 -44.07 97.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 54.32 110.898 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.17 -41.3 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 65.34 111.097 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.38 -41.7 97.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -52.0 -36.59 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.36 80.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -59.42 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 -47.09 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.21 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.75 -35.61 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 74.11 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.9 -41.49 97.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 75.31 111.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.18 35.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 71.12 112.452 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.89 162.03 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 64.11 111.098 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 m -97.86 -56.51 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.21 111.137 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.6 166.02 23.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.88 164.64 29.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 72.23 110.905 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.36 169.77 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.45 111.14 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -108.21 101.0 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.842 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.516 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.35 155.89 89.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 74.14 110.893 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.72 167.33 71.32 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 -1.801 . . . . 71.42 112.341 -0.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.84 149.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.27 157.93 47.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 73.11 110.887 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -36.04 11.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 72.32 112.315 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.03 -39.19 54.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.54 -47.23 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 72.13 111.131 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.69 -54.39 42.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.909 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.1 t -52.79 -35.17 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.23 111.148 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -70.54 -37.15 74.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.43 -36.61 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.953 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.1 p -84.45 -34.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 75.11 111.118 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.41 47.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 53.42 111.122 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -51.43 -33.87 32.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.166 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.6 mt -80.77 -35.96 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.3 p -65.97 -42.63 89.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.798 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.92 155.88 35.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 74.51 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -170.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 75.22 112.335 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.97 149.06 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 63.13 111.103 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -173.58 50.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 65.44 111.092 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 71.4 110.907 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 71.14 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.2 mm -70.91 129.62 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 72.41 111.128 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -118.09 -46.65 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.1 p -137.34 162.74 32.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 61.43 111.149 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.13 147.15 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.3 111.147 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.61 135.58 49.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 75.01 110.9 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.39 144.79 50.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.054 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -141.26 112.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.11 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.37 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.883 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.78 78.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.89 112.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.869 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -51.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 65.21 111.087 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -55.45 -35.29 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.122 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.17 -49.75 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.888 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -34.16 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.871 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -35.28 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.23 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.55 -62.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.928 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -52.07 -35.48 47.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.939 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -67.23 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.9 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.55 -44.12 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 54.31 111.108 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -50.72 -42.91 57.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 64.21 111.12 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 mt -84.39 -35.11 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.13 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 61.14 111.119 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -55.57 -34.12 64.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 70.02 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.82 -20.63 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.56 -32.37 6.84 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 64.35 112.454 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -51.86 153.88 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 73.44 110.939 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.95 76.09 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 74.04 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -84.43 144.01 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.11 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -140.5 137.34 33.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.159 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -96.4 161.96 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.124 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.0 -177.43 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.094 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.37 -35.34 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 54.11 111.104 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.37 160.42 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.871 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.87 -31.49 31.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.491 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -74.06 -47.14 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 74.32 110.938 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -34.97 72.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.064 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.26 -45.16 11.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 74.05 112.514 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.41 -47.0 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.365 . . . . 75.14 110.896 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.42 -39.47 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 63.14 110.855 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.7 mt -83.19 -33.3 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.901 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.54 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.52 111.082 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.89 -27.77 26.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 71.13 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -27.76 23.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 64.01 111.168 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.7 m -101.93 -36.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.126 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.69 75.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 61.21 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -76.41 166.25 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.967 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -82.15 -34.41 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.53 110.876 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.7 125.11 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.881 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.77 149.45 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.168 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.73 121.95 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.924 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 t -115.59 162.16 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 63.42 111.168 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -118.7 -50.67 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.921 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -55.92 142.45 35.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.915 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -115.76 84.31 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 71.13 110.875 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.0 ttp 52.28 68.03 3.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 71.02 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.743 2.296 . . . . 75.44 112.321 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 -179.2 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -59.87 -35.7 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.928 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -101.37 168.46 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.861 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.79 -107.95 3.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 73.02 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.65 -33.67 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 74.25 110.913 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -51.77 -29.62 19.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 65.4 110.942 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 mt -49.37 -32.08 10.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 74.5 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -48.95 -34.8 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.23 111.114 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.05 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.13 111.107 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.6 -36.88 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.109 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.95 -33.92 76.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.889 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.18 -44.11 80.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.851 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -73.39 -35.72 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.954 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.95 146.13 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 75.53 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -95.35 34.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.86 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.6 -33.72 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.32 111.095 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.74 -27.49 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.904 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.77 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 44.31 111.105 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.01 -35.51 56.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.6 m -52.33 126.33 36.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 72.34 111.115 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 98.88 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 74.51 112.311 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.5 mm -92.23 135.33 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 74.21 111.138 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -123.85 121.97 36.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.881 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.21 140.54 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.167 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mt -84.13 149.01 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.942 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.1 t -144.44 172.77 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 61.54 111.145 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -134.39 -40.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -60.34 -74.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 70.03 110.836 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.47 38.04 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 75.51 112.483 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -115.88 134.22 55.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.1 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 4.0 m-20 -53.28 -30.72 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.126 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.25 -52.06 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 88' ' ' ASP . 9.4 ptmt -61.12 -32.82 72.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.88 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.094 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.05 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.058 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.03 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -70.52 -35.79 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.52 -40.12 78.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.868 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.16 75.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.97 37.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 65.12 112.498 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.05 122.64 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 52.32 111.124 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.6 m -51.2 -55.94 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.15 111.17 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.89 -179.41 30.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 64.1 112.477 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.26 164.22 29.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 74.34 110.841 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.16 170.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 75.53 111.154 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -99.68 118.92 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.804 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -91.12 160.08 38.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 74.44 110.894 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.73 174.97 38.33 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 -1.809 . . . . 75.12 112.348 -0.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.9 mm -115.02 142.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.52 111.114 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.24 156.94 90.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 53.54 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -37.73 8.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 74.22 112.327 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.18 -33.2 57.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.488 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.37 -50.31 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 72.5 111.129 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.19 -39.12 55.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.938 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -69.51 -33.11 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.108 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.56 -42.39 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.1 p -84.32 -33.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.02 111.174 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.51 26.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.38 -34.86 36.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.13 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.64 -44.25 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 75.25 110.95 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -63.34 -50.53 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.825 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -83.25 153.6 66.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 74.24 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 64.15 112.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.85 152.07 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 53.44 111.115 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -177.79 55.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 71.2 111.118 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 50.23 110.914 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.724 0.297 . . . . 73.42 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.83 115.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -93.27 -44.32 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.8 p -150.88 167.03 28.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 62.11 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.2 mt -139.72 140.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.83 131.89 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.881 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -136.8 148.9 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 42.53 111.101 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.7 138.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.2 111.1 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -159.62 169.98 22.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.898 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.18 -63.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 75.23 110.912 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -51.7 107.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 75.12 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.01 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.14 111.092 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.9 m -51.63 -35.43 41.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.154 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -56.11 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.879 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -37.2 51.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.892 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 45.12 111.101 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -73.98 -53.68 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.39 -42.59 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.937 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -54.92 -44.11 73.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.883 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 53.53 111.102 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.59 -58.23 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.129 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.14 -44.66 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.35 -54.8 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 74.23 111.123 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -57.04 -33.72 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.75 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.129 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.72 -33.29 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 63.13 112.492 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.47 152.58 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 73.35 110.915 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.2 80.44 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 65.33 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -84.44 132.56 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 74.13 111.144 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.8 m -121.3 137.71 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.13 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -105.28 140.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.28 -175.96 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 52.31 111.108 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.94 -37.3 15.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -151.53 163.03 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.914 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.16 -32.89 36.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 71.42 112.531 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.02 -47.84 41.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.362 . . . . 72.34 110.904 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.13 76.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 64.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.41 -50.67 11.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 35.33 112.487 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.67 -48.64 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 70.23 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.79 -37.08 50.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.868 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.48 -33.27 25.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 64.45 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.1 -25.91 24.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 64.44 111.106 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.75 -27.89 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.93 -27.81 24.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 74.23 111.138 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.5 m -101.87 -35.49 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.199 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.48 82.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 62.32 111.137 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -86.24 174.58 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.955 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.89 -35.67 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 75.02 110.889 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.31 128.44 25.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.919 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.1 t -113.73 142.41 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 74.35 111.137 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -130.88 113.01 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 t -119.52 159.45 24.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.45 111.151 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -132.54 -41.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.881 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -55.75 143.49 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.879 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -122.52 107.43 12.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -174.49 73.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 75.41 110.852 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.42 16.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 71.1 112.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -54.03 -36.4 62.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 74.42 110.859 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -96.74 -176.43 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.9 p -72.95 171.02 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.05 -79.64 0.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 64.21 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.57 -34.6 72.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 73.23 110.954 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.28 -31.94 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.892 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.11 -34.27 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.901 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.1 mt -50.28 -43.63 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.79 -56.21 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.31 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.03 111.096 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -56.45 -34.26 66.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.932 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.14 -35.65 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -70.64 -42.17 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.61 149.84 48.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -95.63 34.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.41 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.84 -33.2 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 75.2 111.082 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.36 -29.02 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 74.15 110.97 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.56 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 72.34 111.087 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.61 -33.68 27.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -51.62 133.74 35.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 75.3 111.151 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 71.35 112.331 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.6 mm -103.42 141.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 73.21 111.165 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.3 mt -131.71 115.02 15.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.906 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 p -107.97 149.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.088 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mp -97.93 151.34 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 t -130.93 153.63 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.13 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.4 p -98.33 -36.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 71.32 111.132 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.73 -73.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 63.3 110.856 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.45 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 73.41 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -103.29 152.43 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 75.41 110.865 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -54.7 -39.69 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 55.54 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.29 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 71.22 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.27 -39.84 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -52.67 -36.39 56.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.913 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.13 111.132 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.04 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 71.25 111.08 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.57 -39.07 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.2 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -72.48 -35.75 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.3 -36.24 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.35 83.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 64.44 111.122 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.63 33.6 0.65 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 71.43 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.25 141.33 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 74.41 111.136 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -77.25 -56.46 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.31 111.129 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.49 167.4 23.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 43.15 112.496 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.56 164.78 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.714 0.292 . . . . 65.23 110.919 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.78 168.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 62.4 111.106 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.12 120.08 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -77.2 157.79 80.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 75.4 110.893 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.73 174.52 40.15 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 -1.796 . . . . 73.31 112.352 -0.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.4 mm -114.89 139.76 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 75.35 111.121 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.95 158.32 39.88 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.702 . . . . 72.52 110.919 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -32.84 17.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 73.22 112.338 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.76 -38.72 49.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 72.05 112.464 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.62 -40.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 73.41 111.142 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.44 -56.53 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.893 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.1 t -53.12 -35.83 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.101 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.52 -36.21 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.941 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 23.8 t -84.38 -35.25 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.33 111.172 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.55 -54.83 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 73.33 111.141 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.8 t -51.66 -35.09 41.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 75.11 111.139 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.24 -43.91 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 70.23 110.902 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.9 p -62.31 -42.28 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.828 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -92.35 153.66 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.713 . . . . 75.55 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -171.05 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 63.11 112.317 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.1 156.6 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 70.24 111.069 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -176.69 56.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.092 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.869 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.725 0.298 . . . . 75.24 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.67 125.99 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 73.54 111.176 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -108.67 -50.26 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.823 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.7 p -138.26 161.68 36.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.12 111.116 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.7 mt -142.84 143.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 73.4 111.164 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.55 129.56 37.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.927 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.72 156.23 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.132 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.56 136.99 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 70.43 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.08 172.0 15.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.87 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.48 -61.14 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.859 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 m -54.05 102.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.886 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -35.78 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 61.42 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -62.6 -41.28 98.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 74.15 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.2 ttt -62.0 -56.94 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 72.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -59.97 -33.77 72.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.881 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.99 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.7 -43.7 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.92 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.51 -44.22 68.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.962 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -51.77 -43.18 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.839 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.4 78.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.05 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -57.5 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.43 111.15 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.87 -37.42 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 75.04 110.919 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.2 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.4 111.101 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -63.93 -33.39 75.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.962 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 -20.59 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.24 111.065 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.07 -32.81 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 70.41 112.463 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -58.34 152.82 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.44 110.929 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.65 78.52 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 75.12 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -84.97 135.89 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.083 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -133.4 146.9 51.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 64.2 111.132 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -118.91 138.79 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.108 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.39 -176.37 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.093 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.52 -35.52 22.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 73.34 111.091 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -151.77 166.27 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 70.53 110.89 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.1 -34.15 61.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 71.32 112.48 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -68.43 -48.48 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.47 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.095 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.42 -45.2 11.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.755 -0.736 . . . . 72.55 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -65.91 -46.43 78.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 75.24 110.847 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.37 -36.16 61.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.63 -32.22 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.874 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -26.07 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.108 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.21 -27.22 26.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.1 111.105 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -27.76 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.176 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.2 m -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.106 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.92 66.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 73.21 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -67.19 160.35 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.35 110.946 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.63 -33.83 62.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 62.22 110.809 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -137.69 128.22 26.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.911 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.4 t -116.16 147.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 74.22 111.126 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mt -138.4 111.47 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 71.12 110.91 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.6 t -121.56 162.73 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 74.02 111.131 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.43 178.69 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.872 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -129.51 35.44 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -129.16 70.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.851 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mtt -124.62 160.48 53.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 74.3 110.856 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -42.32 3.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 75.34 112.312 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -149.03 169.69 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 74.3 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 80.7 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.913 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p -71.19 -73.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.834 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.99 31.96 3.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 71.24 112.524 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.2 mt -90.16 -34.76 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.769 0.319 . . . . 73.2 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.49 -24.94 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.891 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 tp -48.58 -32.78 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 71.43 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.3 mt -48.59 -39.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.02 111.132 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.17 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.41 111.058 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.95 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 53.45 111.055 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mt -79.94 -33.67 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.888 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.58 -51.86 68.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.837 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.95 -35.19 66.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.36 151.28 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.938 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -95.47 34.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.902 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.46 -32.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 72.04 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.88 -24.54 10.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.951 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.12 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 74.12 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -84.87 -34.53 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.0 m -51.7 128.12 34.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.533 0.682 . . . . 63.21 111.153 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 102.71 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 73.04 112.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.2 mm -91.88 130.88 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.157 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 mt -123.36 118.05 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.919 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.14 138.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 61.35 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.1 mt -83.9 148.12 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.922 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.4 t -146.51 175.23 10.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.133 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.8 p -127.68 -44.29 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.141 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -166.56 66.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.06 -21.29 13.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 62.12 112.512 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 t 63.25 179.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 72.23 110.879 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.8 -34.64 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 71.34 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.53 -30.99 55.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 55.34 111.101 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -81.03 -35.11 32.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.87 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -50.72 -33.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.867 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.11 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 75.12 111.1 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.64 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.04 111.093 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.55 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.34 -36.15 76.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.02 -42.79 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.108 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.37 37.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 74.22 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.2 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 71.33 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.6 m -102.78 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.145 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.81 175.4 21.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 73.05 112.46 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.05 162.58 33.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 74.1 110.935 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.72 170.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.107 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -104.07 134.4 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.873 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.499 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -100.87 158.64 31.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 74.53 110.917 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.82 175.79 35.36 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 -1.798 . . . . 75.11 112.331 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mm -112.83 143.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 74.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.66 156.12 61.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 73.13 110.889 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -34.79 13.97 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.7 2.267 . . . . 54.24 112.302 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.68 -35.79 62.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 71.42 112.474 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.2 t -83.45 -35.09 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 75.11 111.176 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.8 -36.76 84.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 73.4 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.23 -27.93 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 74.32 111.138 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -72.95 -43.28 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 pp -63.44 -34.91 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.54 110.893 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.4 p -84.51 -33.96 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.1 111.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.29 -52.3 53.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.134 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.1 t -51.77 -33.43 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -82.06 -35.73 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.888 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 81.3 p -66.74 -49.38 66.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.12 110.897 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -103.56 153.62 38.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.666 0.746 . . . . 73.32 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 73.52 112.362 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.57 135.98 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 75.02 111.112 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -149.05 38.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 72.41 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.865 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 74.24 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.33 98.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.149 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -95.33 -49.44 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 73.32 110.882 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.2 p -132.37 160.37 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 72.42 111.137 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.9 mt -141.96 141.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.181 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.49 131.46 51.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.948 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.12 153.05 46.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.094 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mp -141.09 139.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.127 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -163.19 172.39 14.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.884 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.8 -53.49 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.835 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -61.76 101.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.875 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -35.67 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.31 111.062 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 m -62.67 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 63.22 111.172 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.44 -57.04 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.898 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -59.5 -34.11 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 72.54 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.7 -35.5 78.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.108 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -71.84 -53.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.937 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.26 -40.28 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.948 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -51.63 -42.41 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.41 110.802 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.11 -35.45 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.138 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -55.35 -42.56 74.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 74.2 111.12 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -83.85 -34.67 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.906 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.71 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 55.51 111.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.91 -37.97 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.76 -20.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.082 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.06 -33.37 5.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 75.42 112.474 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.75 153.62 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.21 110.951 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -100.46 80.95 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.893 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -91.35 139.74 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.31 111.143 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -135.42 148.73 49.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.5 111.165 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.08 138.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.53 111.147 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.4 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.5 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.58 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.23 111.075 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.91 164.15 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.838 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.82 64.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 72.51 112.473 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.87 -42.78 80.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.0 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 63.12 111.155 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.99 -47.25 32.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 72.12 112.475 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -36.23 74.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 74.22 110.877 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.19 -49.04 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 64.15 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.64 -43.78 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 71.33 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.99 50.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.063 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.61 71.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.12 -31.35 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.156 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.6 m -79.83 -38.43 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.169 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.72 82.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 52.32 111.067 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.38 -35.25 68.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 74.31 110.854 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.56 134.25 35.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.905 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.64 150.08 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.21 111.152 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 tp -139.65 129.7 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 t -149.03 148.61 29.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.53 111.125 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.2 158.13 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.851 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.43 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.858 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.75 103.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 73.21 110.925 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.9 mmt -147.47 157.85 44.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 74.12 110.868 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 73.41 112.321 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -83.63 -34.74 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.54 110.917 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -51.15 165.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.854 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -65.53 -172.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.3 110.9 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.08 -83.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 72.52 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.21 -33.6 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.332 . . . . 74.44 110.928 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -50.79 -30.78 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 65.43 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.8 mt -49.67 -33.73 16.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.52 110.954 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.6 mt -49.97 -40.1 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 73.51 111.094 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.21 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 63.25 111.099 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.05 -33.68 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 70.22 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -70.37 -51.58 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -55.84 -35.12 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.01 152.51 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 t -95.16 35.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.871 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.46 -31.44 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 73.21 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -113.31 -24.73 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 73.34 110.901 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.31 -36.71 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 75.43 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.75 -35.61 44.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.2 m -51.91 125.7 31.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.589 0.709 . . . . 72.1 111.14 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 94.82 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 54.01 112.345 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.3 mm -87.31 135.31 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 74.54 111.182 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 mt -125.51 119.62 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.94 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 p -108.81 135.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 75.11 111.121 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.14 149.8 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 t -127.86 146.78 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.146 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -100.16 -34.48 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.03 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.08 -42.02 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.62 49.35 24.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 61.44 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.78 161.76 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 72.5 110.874 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.58 -37.8 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 74.5 110.874 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.34 86.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.53 111.156 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.17 -37.72 81.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -52.12 -35.83 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.942 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.02 82.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 64.35 111.077 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.12 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.01 -47.3 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.098 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -64.92 -35.61 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.66 -41.61 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 73.11 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.44 44.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 74.13 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.42 151.13 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 74.21 111.099 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.9 m -79.77 -64.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 75.45 111.163 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.81 175.42 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 52.3 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.01 164.03 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.711 0.291 . . . . 74.42 110.922 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.76 170.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 75.32 111.143 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.08 134.53 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.9 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 pttm -100.22 158.52 31.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 72.24 110.879 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.78 175.61 35.93 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 -1.802 . . . . 75.01 112.33 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.84 141.42 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.119 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 157.79 57.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 73.21 110.886 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -35.72 12.14 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 75.13 112.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.61 -37.33 58.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 74.25 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.47 -46.64 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 62.13 111.144 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.07 -60.35 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 73.24 110.919 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.45 -35.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.42 111.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.5 -35.75 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.898 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.85 -34.86 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.28 -34.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.096 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.59 25.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 70.44 111.105 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.26 -34.82 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.78 -46.25 63.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.901 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.6 p -65.62 -52.89 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.42 110.82 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.1 153.77 81.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 73.22 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.09 28.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 73.41 112.367 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.8 174.56 10.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.04 111.093 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.36 36.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.086 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.861 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 70.11 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.19 141.9 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -134.2 -46.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.21 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.111 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -132.37 143.68 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.122 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.58 133.32 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.922 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.13 147.01 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.103 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mp -140.62 108.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.139 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.15 171.41 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.897 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -103.36 -48.23 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -52.34 110.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 54.55 110.838 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.9 -35.8 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 52.4 111.102 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 m -70.16 -38.62 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.143 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.0 tpt -68.88 -50.83 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.922 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.49 -36.8 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.49 -44.97 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 64.21 111.112 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.2 -61.55 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.44 -35.93 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 72.01 110.91 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -63.38 -41.33 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.04 110.878 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.38 47.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 72.04 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -51.42 -44.02 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 64.52 111.097 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.04 -36.37 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.897 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -53.02 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 71.23 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -55.84 -33.6 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.92 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.66 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.33 111.075 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 -33.28 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -54.79 154.26 5.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 75.42 110.894 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.97 80.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.51 143.7 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.137 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -139.36 137.83 36.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.97 138.88 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.066 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.32 179.26 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.111 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.07 -35.36 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 72.32 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -156.94 162.51 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.848 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.15 -32.19 35.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 73.14 112.467 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.71 -50.72 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 75.4 110.91 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.62 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 70.44 111.132 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.12 -52.18 9.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.22 112.48 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.16 -47.59 76.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 74.24 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.73 -36.13 45.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.896 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.81 -33.38 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.94 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.97 24.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 71.03 111.077 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.94 -28.37 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.13 111.113 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -27.72 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 64.21 111.152 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -101.98 -36.35 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.082 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.22 67.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 72.04 111.132 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -68.13 174.56 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 65.23 110.909 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.97 -34.56 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 71.13 110.843 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 tt -141.28 131.3 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.945 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.3 t -112.6 148.65 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.12 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -135.87 113.1 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.897 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -116.34 153.39 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.145 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.17 -73.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.852 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -66.44 132.76 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.935 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.9 111.67 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.893 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.75 160.91 42.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.703 . . . . 74.25 110.895 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 126.62 13.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 71.14 112.301 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -164.19 140.17 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -55.0 -37.7 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 m -125.51 155.62 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.875 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.2 -106.84 2.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 64.11 112.466 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.3 -35.08 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.318 . . . . 73.34 110.924 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -51.82 -29.74 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.842 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.19 -32.95 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.92 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.1 mt -50.01 -36.93 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.158 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -42.55 85.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.115 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.44 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.12 111.105 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.51 -34.53 47.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.85 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -56.19 -35.47 67.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 75.53 110.894 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.68 151.14 43.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.942 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.4 p -95.35 35.68 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.4 -32.28 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 63.12 111.065 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.85 -24.35 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.36 -38.93 20.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 73.33 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.89 -35.27 59.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 72.52 110.862 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.9 m -57.94 126.34 76.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 73.15 111.126 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 74.21 112.37 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.3 mm -103.18 127.57 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.143 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.85 114.0 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.906 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.4 p -104.58 146.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.42 111.145 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.82 151.53 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.2 t -136.46 161.69 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.149 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.3 p -104.25 -45.05 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.13 111.203 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -74.48 -62.32 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.897 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.07 33.4 8.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 72.05 112.496 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.88 157.38 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 73.54 110.905 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.8 -36.1 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 63.21 110.882 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.04 84.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.89 -37.39 76.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.877 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -52.03 -35.84 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.896 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 72.34 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -57.24 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.3 111.097 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -49.65 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.14 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -66.01 -35.62 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.887 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.81 -44.2 94.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.22 110.869 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.29 84.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 70.24 111.08 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.16 35.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 51.22 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.71 142.25 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 71.43 111.123 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.8 m -69.77 -67.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.172 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.0 170.76 21.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 63.23 112.489 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.66 166.53 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 74.33 110.898 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.76 167.22 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.22 111.101 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.2 128.72 55.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 72.03 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -74.96 160.5 80.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 74.02 110.882 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.8 176.87 30.98 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 -1.799 . . . . 62.55 112.335 -0.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.0 mm -110.6 140.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.44 111.153 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.58 156.13 35.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 73.34 110.858 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -31.03 21.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 72.34 112.308 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.22 -37.22 49.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.43 112.468 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.41 -46.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 71.44 111.142 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.07 -51.92 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.4 -52.27 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 70.44 111.103 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.78 -36.06 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.8 -35.41 79.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 75.42 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.3 t -84.6 -35.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 53.43 111.128 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.73 -54.22 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.44 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.1 -34.61 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.114 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 mt -79.55 -35.82 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 62.3 110.967 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 p -62.45 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.03 155.91 36.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.24 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.646 2.231 . . . . 74.22 112.359 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.15 149.83 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.11 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -165.72 52.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 70.44 111.126 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.918 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 71.23 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mm -59.18 116.21 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 74.34 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -102.71 -48.23 4.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.87 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.8 p -140.76 164.99 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 71.25 111.151 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.04 143.57 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.108 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.53 137.19 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.55 110.916 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.6 147.7 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 71.24 111.079 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.9 128.48 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.093 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.17 161.83 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.893 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.15 -42.34 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.839 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 m -69.38 113.69 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.87 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.41 47.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.109 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -55.42 -49.7 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.139 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ttm -66.05 -46.91 76.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.829 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -52.19 -38.11 56.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.904 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.7 -43.5 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 54.21 111.129 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -54.73 -62.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.868 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.3 mt -57.38 -35.35 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.969 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.43 -39.1 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.823 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -47.66 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 74.43 111.072 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -51.2 -40.21 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.1 111.161 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.91 -35.26 26.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.948 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.11 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 45.44 111.092 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -55.73 -37.48 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.51 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.66 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.08 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.31 -31.52 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 65.01 112.465 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -50.43 153.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 74.52 110.903 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.01 77.51 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 75.05 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 p -85.36 140.18 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 65.32 111.158 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -140.84 131.96 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.89 138.81 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 75.04 111.157 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.11 -176.74 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.22 111.094 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.11 -35.54 16.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.096 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -155.59 164.97 37.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.853 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.33 -32.79 37.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 74.11 112.509 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.02 -48.21 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 72.53 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -35.14 72.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.01 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.39 -46.42 12.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 62.13 112.523 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.76 -47.68 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 73.43 110.859 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -52.15 -37.56 54.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.02 -34.7 24.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.17 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.92 -29.31 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.3 111.098 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 -27.8 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.158 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.43 -35.79 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.02 76.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 73.02 111.105 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.94 173.99 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -35.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.904 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.78 121.91 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.917 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.72 149.52 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 74.32 111.149 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -137.8 110.21 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.933 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.2 t -109.23 162.66 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.161 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -114.41 150.02 35.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -52.52 170.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 65.43 110.914 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -165.0 143.63 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.5 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.95 160.63 1.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 72.32 110.869 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.57 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 64.1 112.333 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.13 -179.95 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.84 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.98 72.07 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -93.78 -176.31 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.838 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.68 31.96 6.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 74.35 112.511 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.1 -34.5 15.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 75.51 110.909 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.22 -31.38 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -32.35 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.4 mt -50.31 -35.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.166 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.62 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.44 111.061 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.57 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.112 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.75 -34.71 45.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.91 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -61.16 -51.31 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.01 110.838 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.07 -35.23 66.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.11 151.81 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.02 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -95.56 35.52 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.874 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.63 -32.25 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 75.12 111.094 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.07 -27.45 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 74.53 110.933 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.65 -35.74 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.115 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -85.01 -34.04 22.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -53.2 133.54 51.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.586 0.707 . . . . 64.11 111.122 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 108.19 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 74.12 112.367 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -111.24 126.43 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.133 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.28 120.79 38.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 64.32 110.908 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.69 137.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.115 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -83.71 147.6 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 t -132.87 162.53 31.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.33 111.179 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.8 p -112.7 -37.07 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 61.35 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -72.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.875 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.69 33.32 4.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 73.41 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -117.4 179.9 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 72.1 110.862 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -72.36 -36.27 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 75.42 110.833 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.04 -37.59 54.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.51 111.132 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -73.3 -40.39 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.25 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -52.8 -36.31 58.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.9 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.76 81.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 70.21 111.098 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.25 111.099 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.077 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -64.53 -35.78 82.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.1 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.46 -40.16 96.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 62.43 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.3 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.12 111.112 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.06 33.62 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 61.4 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.06 135.58 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 71.51 111.115 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.0 m -52.84 -69.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 62.34 111.165 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.43 -179.12 16.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 75.02 112.535 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.03 165.46 25.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.695 0.283 . . . . 74.34 110.978 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pt -150.36 165.87 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 74.22 111.137 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.51 108.44 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.49 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -73.72 159.86 83.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 71.42 110.911 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.73 170.41 58.48 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 -1.783 . . . . 72.24 112.398 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.6 mm -114.24 139.35 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.25 111.127 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.08 158.05 65.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 74.13 110.842 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.78 17.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 74.03 112.328 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.23 -33.4 61.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 73.22 112.485 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.72 -44.26 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 74.05 111.159 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.29 -60.17 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.2 110.936 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.6 t -53.95 -35.77 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.134 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -71.11 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.98 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.27 -34.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.118 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.35 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.04 111.11 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.82 -35.38 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.12 111.155 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.04 -42.3 39.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 65.34 110.924 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.13 -46.17 90.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -91.47 153.68 44.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 71.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -171.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.254 . . . . 74.13 112.344 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.76 149.92 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 71.42 111.076 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.9 50.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.119 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.851 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 75.42 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.99 105.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 70.03 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -60.43 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.87 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.5 p -137.44 168.61 19.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.112 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -139.51 145.12 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 75.54 111.163 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.75 134.54 50.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.932 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.95 144.28 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.101 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mp -140.61 129.24 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 71.41 111.152 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -163.33 171.96 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.865 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -89.01 -53.11 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.839 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -62.96 104.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.879 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -37.25 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.108 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -60.41 -35.23 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.135 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.3 tpp -66.16 -56.69 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.887 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.89 -33.36 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.53 110.836 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.16 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.74 -35.09 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 72.4 110.916 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.938 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -62.01 -35.99 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.838 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.18 -42.63 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.092 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -55.55 -59.06 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 75.11 111.12 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.6 mt -63.12 -35.82 81.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.78 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 72.0 111.08 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -58.28 -33.38 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.936 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -20.67 65.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 64.22 111.073 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.51 -32.96 5.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 64.04 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -51.67 154.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 75.15 110.911 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -98.57 81.57 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 74.32 110.857 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.37 143.68 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.114 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -134.36 154.92 51.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.169 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.17 138.76 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -179.8 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.36 -35.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 64.22 111.092 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -145.4 155.67 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 71.01 110.83 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.22 -32.89 37.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 60.41 112.485 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -71.16 -50.07 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 71.51 110.902 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.03 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 64.34 111.118 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.67 -44.56 12.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 75.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.83 -46.47 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 61.13 110.91 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.43 -35.86 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.64 -34.73 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.31 110.935 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.57 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 74.53 111.102 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.68 -28.11 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 73.42 111.12 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.66 -27.3 27.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.22 111.143 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -103.21 -36.05 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.129 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.09 67.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 64.25 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -67.37 169.19 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.916 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.36 -34.31 28.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 70.25 110.877 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -141.98 125.99 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.91 150.48 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.1 111.128 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -131.47 118.61 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 t -126.68 162.59 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.21 111.13 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -96.45 -42.26 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.823 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 59.12 63.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.868 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -113.49 104.84 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.43 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 mmm 61.16 72.9 0.64 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.537 0.684 . . . . 73.45 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 140.55 42.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 73.34 112.375 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -133.08 36.26 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? 61.1 43.51 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.6 p -134.01 99.01 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 75.25 110.8 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.92 -60.28 4.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 74.14 112.51 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mp -52.6 -37.31 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 74.11 110.941 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.88 -31.15 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.891 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 94.6 mt -49.99 -33.09 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.955 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.0 mt -50.4 -38.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.1 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.114 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.82 -33.92 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.54 111.088 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.7 -34.55 60.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.913 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.12 -51.08 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.92 -35.02 66.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.902 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.18 153.84 42.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.5 34.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 62.42 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.76 -32.26 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.13 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.29 -25.06 9.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.53 110.891 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.12 -35.7 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.44 -35.24 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 65.12 110.877 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.4 m -52.78 125.92 39.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 64.41 111.124 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 75.01 112.34 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.0 mm -100.11 132.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 74.34 111.121 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -123.41 121.64 36.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.874 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.38 139.0 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 72.1 111.13 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mp -84.19 137.8 33.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.916 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.1 t -125.51 163.85 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.02 111.16 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 t -119.5 -34.9 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.24 111.125 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.89 -70.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.37 5.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 72.14 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -109.47 -176.76 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 72.21 110.884 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -79.73 -38.09 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.87 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.51 70.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.1 111.104 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.0 -42.22 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -55.45 -36.03 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 75.22 110.877 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.8 71.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.092 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -61.42 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 71.21 111.069 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.68 -44.94 66.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 62.34 111.091 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -67.03 -35.58 80.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 74.14 110.846 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.09 -41.61 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.901 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.07 -37.31 72.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.142 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.72 34.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.85 136.58 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.4 111.12 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.1 m -53.92 -70.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.128 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.25 -178.87 16.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 53.21 112.52 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.26 165.32 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 74.1 110.897 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -149.88 170.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.31 111.118 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -102.99 133.94 47.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.886 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -99.36 158.39 32.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.537 0.684 . . . . 74.03 110.898 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.78 175.65 35.76 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 -1.803 . . . . 64.52 112.345 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.59 137.98 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.133 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 157.2 79.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 71.52 110.906 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -36.01 11.55 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.703 2.268 . . . . 73.34 112.3 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.05 -40.31 51.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 41.23 112.491 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.36 -47.88 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 75.33 111.154 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.69 -47.06 67.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 71.11 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.73 -35.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.171 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.831 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.94 -35.1 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 65.42 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.29 -35.87 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.45 111.125 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.22 -53.3 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 60.11 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.4 t -51.5 -33.3 31.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.118 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mt -81.52 -35.75 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.55 110.954 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.9 p -67.57 -49.14 64.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.826 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -101.63 155.87 35.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 75.24 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 74.4 112.367 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.37 149.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.149 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.67 52.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 70.14 111.128 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.918 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 75.51 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.76 101.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 74.02 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -85.69 -38.43 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 72.44 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 p -150.73 177.39 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.151 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.6 mt -147.21 145.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.114 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.52 128.42 44.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.942 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -132.97 139.9 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.32 111.087 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mp -138.04 137.12 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.187 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -163.1 169.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.865 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -108.73 43.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 64.45 110.873 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -151.23 111.18 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.898 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.64 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.33 111.102 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 m -64.18 -52.16 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 73.13 111.159 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 ttp -65.28 -47.69 75.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 72.04 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.18 -36.55 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.911 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.75 17.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.53 111.119 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.72 -62.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.6 mt -55.75 -51.65 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.45 110.943 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.795 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.12 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.131 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -50.71 -42.03 56.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 71.22 111.149 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 mt -84.7 -35.0 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 74.02 110.913 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.65 54.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.077 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.85 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 63.3 110.913 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -21.05 66.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 60.14 111.081 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.35 -32.04 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 53.11 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -49.9 153.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 74.14 110.924 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.19 158.57 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.168 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.0 m -143.26 110.6 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.53 111.185 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -95.8 138.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.137 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.4 -175.96 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 73.51 111.105 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.81 -35.61 26.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 72.13 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.66 169.18 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.808 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.95 -32.55 82.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 74.22 112.479 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -68.21 -44.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 75.42 110.869 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.06 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.135 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.45 -47.38 22.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 74.21 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.89 -41.79 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 75.11 110.831 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.18 -38.29 73.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.44 -33.96 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 74.4 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.36 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.02 111.13 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.03 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 -27.5 26.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -102.69 -36.27 8.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 88.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 54.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -90.64 175.94 6.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 -35.08 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.98 127.77 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.58 138.37 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 71.35 111.12 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -123.53 110.25 14.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.91 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.8 t -112.54 141.4 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.131 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -112.03 -35.98 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.871 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -51.51 163.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 64.13 110.914 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.79 175.5 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.949 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 mtp 56.53 73.79 0.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 72.25 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 95.89 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 71.32 112.376 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -104.63 -36.03 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.89 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 -170.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.89 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.9 p -52.07 159.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.837 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.49 -107.7 2.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.73 -0.748 . . . . 74.35 112.501 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp -51.67 -35.05 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.782 0.325 . . . . 73.43 110.899 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -51.46 -30.72 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.52 110.866 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.1 mt -50.54 -34.15 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.941 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.9 mt -50.06 -40.72 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.156 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.55 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.14 111.115 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.41 -33.13 55.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.089 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.64 -33.69 53.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -62.35 -51.64 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.52 110.886 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.05 -34.76 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 65.52 110.908 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.37 152.88 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.43 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 t -95.12 35.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.51 110.807 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.74 -32.31 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 62.33 111.085 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -111.7 -26.02 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.925 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.93 -35.44 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.095 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -34.36 24.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 75.51 110.878 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 84.8 m -57.11 133.42 80.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.7 . . . . 63.43 111.155 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.92 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 54.11 112.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.51 116.41 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 74.01 111.088 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -107.15 117.26 33.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.0 p -104.53 133.39 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 70.35 111.145 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.1 mp -83.85 142.97 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.886 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 t -127.27 163.97 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 62.43 111.092 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 t -118.27 -34.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.167 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.5 -47.45 22.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 52.08 13.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.505 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 t -124.16 153.18 41.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 65.24 110.89 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -53.73 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.845 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.7 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.07 -36.19 80.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -63.52 -37.01 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.1 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.118 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.42 -61.6 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 72.13 111.094 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.32 -45.38 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 65.01 111.122 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -66.82 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.41 110.909 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 75.35 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.32 81.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 72.35 111.07 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.86 46.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.719 . . . . 64.21 112.51 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.21 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 63.42 111.088 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.8 m -89.88 -54.18 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.32 111.131 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -137.72 174.36 21.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 74.44 112.509 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.38 165.44 26.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 70.22 110.904 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -150.53 169.78 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.1 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.32 125.37 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -89.24 157.7 47.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 74.23 110.901 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.82 176.01 34.49 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.656 -1.81 . . . . 71.32 112.354 -0.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 46.6 mm -104.26 142.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.22 111.15 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 158.67 48.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 71.24 110.836 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -35.96 11.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.219 . . . . 75.0 112.372 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.3 -32.83 33.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 53.44 112.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.4 t -74.94 -33.29 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 75.24 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.98 -35.4 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.896 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.0 t -79.72 -39.21 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.079 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.73 -32.84 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.05 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.6 mt -71.28 -37.83 71.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 74.11 110.963 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.1 p -82.55 -33.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 75.13 111.135 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.97 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 70.51 111.15 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.7 t -51.67 -32.69 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 62.01 111.149 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.1 mt -75.15 -35.91 61.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 73.01 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.0 p -74.5 -52.33 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -117.39 153.76 50.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 71.43 110.923 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 173.99 10.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 73.51 112.347 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.75 150.74 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.113 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.15 41.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.14 111.088 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.868 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.715 0.293 . . . . 74.13 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.27 101.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 74.51 111.109 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -95.73 -57.37 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.9 p -124.27 160.16 28.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.146 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 75.0 mt -145.11 138.16 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.131 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.78 137.78 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.93 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.2 153.66 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.061 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mp -141.11 122.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.4 111.133 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -153.42 160.58 42.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.886 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.11 -36.74 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 t -67.65 113.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.97 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.12 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.2 m -63.01 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 73.13 111.148 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.9 tpp -73.2 -37.98 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.867 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -64.37 -36.47 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.91 -48.39 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.23 111.103 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.13 -61.48 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.945 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.6 mt -55.26 -49.66 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.927 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -54.75 -35.86 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.909 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -39.97 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 60.35 111.147 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -59.65 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.096 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.39 -35.82 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 73.12 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -52.62 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.24 111.132 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.65 -34.5 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.923 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.6 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 70.41 111.13 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.63 -33.41 5.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 74.14 112.455 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -53.4 154.18 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.343 . . . . 75.45 110.92 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -98.23 88.2 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -95.65 139.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.25 111.092 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -132.01 131.39 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -96.43 138.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 71.24 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.71 178.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 75.01 111.063 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.39 13.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.111 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.36 148.96 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.904 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.18 -32.15 35.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 71.03 112.505 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.06 -47.66 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 73.31 110.887 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.16 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -50.03 48.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 71.55 112.473 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -47.39 70.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 74.33 110.92 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.69 -35.69 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.34 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.92 -27.93 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 70.22 110.931 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.21 111.119 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.69 -29.56 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 -26.94 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 71.51 111.113 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -104.69 -34.83 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.116 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.99 86.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 72.51 111.053 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -88.02 -179.87 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.937 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.93 -32.78 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.913 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tt -143.78 127.29 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.902 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.2 t -112.6 148.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.152 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -135.73 114.01 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.94 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -130.86 144.58 51.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.153 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.57 165.85 17.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 70.12 110.858 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -151.25 99.96 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -135.86 66.04 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 70.34 110.89 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.9 mtt 59.38 69.0 1.4 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 75.03 110.933 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.89 68.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 73.22 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -125.61 -39.49 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -142.52 56.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.925 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t -115.34 171.18 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.851 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.94 35.51 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 73.34 112.514 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.95 -26.74 48.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.739 0.304 . . . . 74.3 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.41 -26.72 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.85 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -49.79 -30.1 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.9 mt -47.99 -35.54 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 75.34 111.09 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.19 77.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.098 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.19 -36.06 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.13 111.095 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.15 -35.27 66.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 65.22 110.908 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.86 -51.03 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.05 -35.22 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.887 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.85 153.77 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -95.79 33.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.83 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.99 -32.3 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.31 111.085 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -111.87 -22.63 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.35 110.934 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.11 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 62.5 111.05 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.54 -34.84 46.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.0 m -59.56 133.06 88.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.571 0.7 . . . . 73.33 111.159 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 136.66 33.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.691 2.261 . . . . 72.54 112.367 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.9 mm -128.72 128.68 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 71.23 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -123.92 118.57 27.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 74.1 110.936 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.6 p -103.88 134.07 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.088 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.31 110.91 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -152.45 162.17 41.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.158 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t -103.88 -34.73 8.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 71.32 111.147 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.59 118.92 37.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.943 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.24 55.17 4.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 73.55 112.512 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 142.05 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 73.13 110.847 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.15 -36.52 82.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.866 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.37 93.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.093 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.02 -38.22 85.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.925 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -52.07 -36.69 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 73.22 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.69 -35.14 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 61.53 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -61.25 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 73.12 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.47 -44.69 62.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 71.03 111.065 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -69.24 -35.73 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.862 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.94 -41.77 92.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 73.55 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.51 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.103 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.15 38.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 73.14 112.459 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.84 139.02 35.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.381 . . . . 72.52 111.068 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -51.58 -64.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.131 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.87 174.89 30.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 74.4 112.524 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.33 164.85 28.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.801 0.334 . . . . 75.54 110.93 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -144.13 160.29 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 73.45 111.096 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.68 129.45 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 54.31 110.871 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.482 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.74 160.02 83.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 74.12 110.893 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.78 161.82 85.46 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 -1.805 . . . . 74.04 112.349 -0.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.6 mm -113.05 137.4 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.15 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.67 152.07 59.41 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 74.04 110.896 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -34.75 13.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 73.54 112.325 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.82 -38.07 60.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 62.22 112.511 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.18 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 72.24 111.124 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 tp -51.5 -38.29 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.877 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.98 -28.68 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 62.42 111.145 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -69.27 -45.43 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.86 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.32 -38.84 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.48 -32.57 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.089 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.5 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 60.32 111.09 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.0 t -50.65 -32.67 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.157 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.53 -35.53 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.931 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -59.51 -43.24 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -106.03 154.9 39.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.685 0.755 . . . . 75.32 110.86 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -171.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 60.03 112.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.39 148.42 27.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.22 111.107 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -161.95 -45.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 75.52 111.083 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.881 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.722 0.296 . . . . 73.44 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.0 mt -51.56 146.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 75.45 111.105 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -122.54 -35.64 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.2 p -143.43 157.45 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.23 111.132 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mt -145.3 148.31 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.143 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tt -132.74 135.11 45.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.925 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.36 156.62 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.032 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -140.59 108.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.141 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.36 168.71 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.27 -58.22 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 63.54 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -54.46 128.7 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.87 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.1 111.115 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -62.69 -38.99 92.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.31 111.155 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.67 -47.99 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.894 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -52.01 -37.14 52.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 64.43 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.97 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.076 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.07 -62.16 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.922 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 mt -58.11 -35.83 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.895 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -64.63 -36.15 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.868 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.5 -37.67 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 61.53 111.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -61.39 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.153 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.74 -36.58 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.912 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.97 -52.86 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 53.24 111.109 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.12 -34.45 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.917 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.86 -20.58 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 64.54 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.39 -33.54 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 71.24 112.452 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -54.28 153.86 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 74.15 110.882 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -96.64 78.21 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.41 110.926 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.36 136.31 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.11 111.133 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.7 m -133.22 144.43 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.14 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 m -111.23 139.51 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.88 -175.97 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 73.31 111.105 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -44.32 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.085 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -149.81 177.49 9.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 64.55 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.24 -33.04 68.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 51.53 112.513 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.2 -48.16 30.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 74.14 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.75 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.09 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.68 -51.41 6.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 73.53 112.521 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.27 -41.44 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 72.33 110.861 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.21 -44.36 83.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.8 -35.06 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 70.21 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.24 37.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 64.35 111.058 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.93 -29.55 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 63.11 111.122 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.56 -27.78 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 65.13 111.126 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -101.43 -35.19 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.05 111.133 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.13 84.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.1 111.097 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -86.12 169.78 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.927 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.04 -35.35 31.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.879 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.3 137.28 35.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.947 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -124.39 139.63 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.137 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -124.51 109.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.946 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 t -120.57 162.55 19.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 63.51 111.125 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -131.43 158.65 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.32 150.09 21.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.14 110.935 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -166.93 114.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 55.42 110.872 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.31 160.7 0.12 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.498 0.666 . . . . 75.2 110.903 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.26 11.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 72.2 112.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -85.37 125.72 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.91 176.46 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 p -121.72 -49.07 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 64.33 110.855 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.43 32.87 2.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 74.45 112.42 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.86 -35.07 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 75.02 110.927 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.71 -30.19 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 62.25 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -49.47 -33.91 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.88 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.5 mt -49.96 -40.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.33 111.16 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.6 81.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 75.11 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.69 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.082 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.3 mp -79.81 -34.99 39.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.912 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -65.72 -48.37 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.79 -34.52 65.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.03 156.98 38.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.45 35.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.41 -32.32 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 70.02 111.128 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -111.14 -24.73 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 73.25 110.929 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.28 -38.34 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 70.44 111.078 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.92 -35.26 57.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 78.3 m -53.86 125.61 47.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.588 0.709 . . . . 74.1 111.128 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.0 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.698 2.265 . . . . 72.53 112.373 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.8 mm -81.35 136.2 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.137 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.0 mt -128.68 115.06 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.931 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -107.55 147.72 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 72.14 111.085 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.59 151.12 19.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.943 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -134.97 165.37 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.164 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.5 p -96.66 -51.11 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 73.14 111.135 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -104.83 136.67 43.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.12 4.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 72.31 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -99.72 146.02 27.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 55.31 110.893 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.43 -36.44 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.85 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.08 -35.92 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 64.43 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.75 -37.48 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.903 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -51.95 -35.73 47.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 72.34 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.23 74.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 60.11 111.103 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.2 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.066 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.82 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 61.04 111.037 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -75.43 -35.85 60.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.79 -37.41 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.7 81.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.53 111.083 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.18 33.48 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 72.43 112.477 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.43 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 73.55 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -90.11 -59.34 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 75.44 111.113 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.93 169.96 23.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 53.23 112.474 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.52 164.3 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 75.13 110.949 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.08 169.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 72.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.46 115.33 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 3.9 pttm -77.52 157.57 79.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 71.42 110.922 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 175.69 35.55 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 -1.8 . . . . 74.0 112.328 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.9 mm -114.28 148.14 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.141 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.93 159.2 34.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 72.52 110.859 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -33.03 17.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 74.12 112.39 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.95 -33.37 41.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 73.21 112.517 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.77 -31.25 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.04 111.109 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tt -72.0 -33.62 68.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 70.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.5 t -79.88 -43.2 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.161 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -32.18 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.846 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.9 mt -69.04 -39.27 79.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.933 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.14 -33.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.162 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.05 -55.21 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.096 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.7 -35.5 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 75.53 111.105 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.19 -39.41 65.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 62.12 110.967 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -36.05 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 72.3 110.832 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -82.81 160.27 61.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 73.31 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.249 . . . . 74.11 112.337 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.04 143.38 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 71.34 111.146 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -167.88 44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 53.31 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.884 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.707 0.289 . . . . 73.22 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.35 106.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 73.1 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -93.97 -50.39 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.856 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.26 166.34 24.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 72.04 111.113 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.3 mt -145.44 149.19 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.04 111.138 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.3 tp -132.03 130.94 42.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.48 119.09 23.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.21 111.069 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mp -109.69 108.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.35 111.152 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.97 171.97 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.837 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -104.41 -40.12 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -71.93 118.61 15.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.885 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.95 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.13 111.104 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -64.21 -44.56 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 71.05 111.159 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -65.89 -50.11 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.909 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -51.88 -35.93 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.882 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.24 -37.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.53 111.122 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.97 -61.03 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.24 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.97 -35.59 75.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.939 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -66.7 -39.07 87.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.88 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.061 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -51.46 -39.01 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 71.34 111.142 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.3 mt -83.68 -36.89 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.92 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.6 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.41 111.089 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -57.8 -33.75 68.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 63.13 110.946 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -20.82 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.076 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.63 -31.88 6.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 72.31 112.506 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.51 154.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 75.43 110.949 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.58 76.22 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -88.12 143.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 73.1 111.135 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.5 m -141.94 149.12 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 74.34 111.128 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.99 138.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 64.52 111.098 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.26 -178.27 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.148 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.88 -35.79 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.34 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -152.19 160.13 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.884 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.14 -32.63 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 74.35 112.511 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.42 -52.29 23.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 71.33 110.906 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.96 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 71.3 111.089 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.59 -49.35 44.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 71.14 112.533 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.96 -48.91 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 62.45 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -51.77 -40.91 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.9 -33.35 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -26.25 27.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 61.32 111.103 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.88 26.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.123 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.53 -27.62 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 75.54 111.158 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.1 m -102.85 -36.31 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.25 111.114 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.1 78.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.034 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -82.6 166.85 18.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.428 . . . . 73.14 110.886 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -34.87 32.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 74.13 110.894 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.49 123.41 13.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.921 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.53 145.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 65.25 111.111 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.97 110.73 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 64.44 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.5 t -115.87 162.73 16.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 71.11 111.148 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -90.45 -169.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.906 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.07 177.84 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 75.15 110.912 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 51.81 59.53 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 75.2 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mmt -113.63 157.82 40.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 74.11 110.881 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 169.85 17.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 64.21 112.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -57.08 -36.24 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 80.7 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -156.86 173.16 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.86 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.64 7.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.725 . . . . 61.15 112.463 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -85.62 -35.04 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 75.2 110.9 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -51.67 -32.56 30.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.85 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.02 -33.1 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.907 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.38 -40.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.31 111.138 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.81 -39.83 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.45 111.105 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.23 61.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 71.13 111.046 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.98 -33.33 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -67.62 -46.54 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.96 -35.69 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.01 146.03 51.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.871 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.9 t -95.57 34.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.22 -33.02 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.53 -26.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.91 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.26 -38.3 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 64.34 111.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.72 -35.56 57.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.2 m -52.29 126.38 36.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.541 0.686 . . . . 73.13 111.14 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 89.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 73.13 112.348 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -83.08 114.68 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.149 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.73 123.41 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.875 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.38 141.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.34 111.122 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.44 151.33 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.907 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 t -149.45 162.36 40.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 60.22 111.11 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.5 p -122.61 -34.79 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.11 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.99 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.1 41.95 4.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 74.43 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 73.21 110.861 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.36 -35.47 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 71.44 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.04 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.118 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -38.04 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.851 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -51.78 -35.62 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 74.22 110.891 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.99 82.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.24 111.106 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.11 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.44 111.062 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.67 -50.09 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 61.3 111.039 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.878 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.06 -43.33 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.124 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.89 36.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 74.12 112.475 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.29 163.03 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 74.45 111.092 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -86.67 -63.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.105 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.02 13.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 53.05 112.5 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.75 168.96 18.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 74.12 110.907 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -151.03 159.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.121 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -112.99 117.77 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.875 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 mptt -75.22 159.3 82.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 75.23 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 166.2 74.64 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.664 -1.807 . . . . 75.45 112.393 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.3 mm -108.8 138.72 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 73.43 111.13 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.0 156.1 42.59 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.625 0.726 . . . . 74.5 110.843 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.74 15.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 74.02 112.323 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.26 -33.31 64.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 74.24 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.89 -42.26 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 72.44 111.109 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.65 -37.27 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.908 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.1 t -80.03 -28.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.108 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.33 -43.79 63.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 65.1 110.914 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 pp -62.3 -34.52 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 73.05 110.944 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.2 p -84.6 -34.13 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.21 111.153 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.3 -53.96 30.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.08 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -51.69 -34.87 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 63.4 111.165 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 mt -74.48 -46.95 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.33 110.95 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -61.0 -37.03 81.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 65.23 110.879 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -84.83 153.7 60.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 73.23 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.76 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.656 2.237 . . . . 64.12 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 143.52 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.133 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.46 43.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 71.14 111.151 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 70.1 110.897 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 74.31 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.44 105.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.52 111.113 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -94.55 -45.57 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.881 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -141.04 161.56 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 75.33 111.139 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.5 mt -142.17 144.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.111 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.39 131.21 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.946 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.91 152.4 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 63.24 111.089 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -140.72 121.02 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 70.24 111.112 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.61 171.66 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 75.2 110.848 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -110.2 -37.71 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -72.72 119.93 17.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.814 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -38.16 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.112 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.42 111.133 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.7 mmt -70.69 -46.44 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -58.71 -36.85 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.04 -46.26 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 64.23 111.079 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.33 -62.2 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.953 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.52 -46.84 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.896 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -57.55 -39.07 75.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 71.51 110.857 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -38.34 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 63.1 111.088 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.77 -51.61 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 75.24 111.126 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 mt -76.23 -36.94 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.888 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.66 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 72.11 111.041 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -55.64 -34.71 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.3 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.59 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 70.5 111.096 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.57 -35.78 4.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 73.23 112.53 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.98 154.82 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 73.13 110.914 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -98.32 86.56 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -97.24 143.63 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.21 111.145 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -134.31 141.1 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.83 139.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.098 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.41 179.88 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 71.2 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.0 -35.99 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.72 159.04 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.04 -32.75 35.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 74.15 112.487 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.26 -46.12 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.22 110.939 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.25 74.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.22 111.13 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.38 -51.27 13.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 74.33 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.85 -49.76 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 74.14 110.861 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -52.13 -42.82 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -76.89 -34.66 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 75.4 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.75 -25.86 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.108 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.72 -28.87 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 62.11 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -27.93 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 52.41 111.152 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m -101.47 -36.3 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.22 111.144 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.11 72.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 62.2 111.132 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -74.42 172.79 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.935 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.15 -35.16 25.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 71.52 110.842 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 tt -141.56 130.62 23.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.949 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.5 t -111.45 148.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.15 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.62 119.6 13.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.31 110.937 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 t -126.09 151.18 47.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.13 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -126.89 -40.37 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.858 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -64.09 132.21 49.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 63.03 110.902 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -130.34 41.41 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 63.53 110.923 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.0 ttm -85.92 137.4 35.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 74.31 110.873 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 113.49 3.4 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 74.24 112.339 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -137.17 168.13 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.873 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -36.04 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.913 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -134.38 154.52 51.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.845 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.32 -86.57 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.33 112.484 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 mp -74.91 -35.38 62.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 73.45 110.927 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -51.2 -31.36 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 71.34 110.836 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.46 -33.09 19.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mt -50.57 -35.09 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.43 111.113 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.0 -54.19 26.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.071 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -33.68 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.25 111.138 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.84 -34.23 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.97 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -66.66 -43.38 84.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.89 -35.09 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.5 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.92 147.06 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 70.45 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 m -95.75 34.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.25 110.825 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.3 -32.75 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 72.52 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.77 -25.29 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.1 110.908 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.42 -38.52 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.33 111.129 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.99 -35.34 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 63.42 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.5 m -56.93 126.11 71.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.608 0.718 . . . . 72.42 111.184 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 109.95 2.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 73.45 112.327 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.48 127.83 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.163 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -122.96 113.97 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.943 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.39 148.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.147 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mp -98.3 151.28 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -130.31 156.39 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.173 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.9 p -87.54 -36.36 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.172 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.91 144.3 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.29 55.25 5.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.514 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -91.94 144.91 24.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 73.53 110.911 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.87 -36.75 83.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 53.14 110.918 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.31 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.11 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.44 -41.2 89.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.841 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -51.88 -35.9 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.15 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.33 -61.23 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.09 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.62 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -67.91 -35.56 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.885 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.08 -44.13 97.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 55.23 110.883 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.43 84.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.1 111.066 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.7 42.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 53.13 112.516 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.84 143.95 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.03 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.1 m -73.58 -58.98 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.105 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.39 168.66 24.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 71.04 112.462 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.69 165.94 25.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 74.51 110.958 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.0 169.78 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 75.21 111.114 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.76 107.14 17.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 70.05 110.855 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.491 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.5 159.48 77.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 72.05 110.877 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 171.84 51.65 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.794 . . . . 65.31 112.366 -0.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.3 mm -116.03 144.37 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 75.35 111.152 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.98 157.94 38.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 71.33 110.889 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -32.79 17.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 64.45 112.351 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.97 60.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.472 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.43 -38.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 72.21 111.087 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.29 -52.88 60.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 73.4 110.953 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.48 -35.1 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.3 111.146 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.43 -35.89 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.841 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.28 -36.3 81.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.17 -34.68 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.108 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.23 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.41 111.077 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 t -51.54 -35.23 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.088 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.29 -36.12 40.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.9 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t -64.99 -39.46 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -102.45 155.87 35.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 74.21 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -171.32 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 75.53 112.353 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.66 145.67 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 52.32 111.1 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -162.55 45.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.3 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.6 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.858 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.776 0.322 . . . . 74.0 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -51.94 116.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.13 111.134 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.06 -43.67 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 65.13 110.922 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -143.67 167.62 21.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 72.14 111.1 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.6 mt -142.19 144.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.095 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.91 131.62 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.937 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.56 148.82 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.139 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.12 131.25 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 73.13 111.087 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -161.01 169.4 22.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 70.51 110.865 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.97 -49.74 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.888 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -54.14 104.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.881 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.86 65.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.053 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -61.67 -35.91 79.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.132 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.5 tpt -65.15 -55.1 20.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.908 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -52.71 -36.32 57.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.44 -39.08 85.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.116 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.64 -55.53 17.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.925 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.81 -35.47 76.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.945 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -68.87 -42.18 77.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.831 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.73 -46.78 57.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.53 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -50.99 -40.92 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.24 111.132 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -84.85 -34.86 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.946 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -51.02 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.24 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.08 -36.3 65.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -20.95 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 60.12 111.084 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.97 -31.24 6.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 63.13 112.495 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -50.64 152.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 65.31 110.941 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -103.0 92.8 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 t -89.67 158.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 71.35 111.151 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.6 m -146.68 109.8 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 72.53 111.172 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.48 138.59 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.114 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.47 -175.73 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.25 111.095 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -35.06 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.098 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -140.97 161.37 37.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.4 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.58 -32.85 79.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.484 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -69.3 -48.95 60.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 72.11 110.893 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.51 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.062 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.48 -43.89 23.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 73.42 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.5 -44.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 74.21 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -51.73 -35.46 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 54.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -84.55 -33.33 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.11 -26.18 26.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 70.32 111.071 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.93 -28.26 26.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 65.52 111.077 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.19 -27.88 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 74.31 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -101.86 -35.49 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.32 111.172 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.97 71.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -68.87 176.06 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.937 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.89 -34.32 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.868 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.89 123.96 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.922 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.3 t -113.31 147.64 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.101 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.07 144.93 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 t -143.19 135.45 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 65.51 111.197 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -108.48 52.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.32 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -106.34 133.07 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.94 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -71.3 -42.49 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.31 110.854 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 ttm -135.31 68.67 68.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 75.24 110.858 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 74.42 112.346 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -123.02 -36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.876 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -147.57 -170.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.895 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 63.61 52.81 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.43 -36.01 3.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 70.03 112.49 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.17 -33.22 74.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 74.55 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -51.63 -29.21 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.867 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -48.59 -34.65 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -50.72 -42.83 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 70.54 111.157 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.95 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.23 111.113 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.14 73.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.13 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 mt -78.46 -34.25 47.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 70.13 110.95 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -63.21 -50.63 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -56.0 -35.41 66.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.67 153.43 42.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.9 t -95.53 34.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.03 110.837 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.82 -31.91 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.069 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -112.38 -24.38 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.916 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.55 -36.4 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.6 -34.64 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.854 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.9 m -55.37 133.03 70.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.558 0.694 . . . . 70.32 111.111 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.46 19.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 73.0 112.345 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.2 mm -129.87 125.79 61.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.17 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -117.82 120.58 38.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 65.5 110.93 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.6 p -104.41 132.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.15 111.119 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 mp -84.36 151.98 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.02 110.938 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -146.09 156.56 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 72.53 111.126 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.5 p -109.47 -35.56 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.53 111.161 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.99 -74.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.63 40.68 3.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.506 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.57 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 72.42 110.852 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.1 -45.4 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.886 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.82 -38.04 54.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.12 111.108 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.65 -44.93 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.63 -35.92 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 75.53 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.05 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.31 111.081 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.34 -59.99 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 62.51 111.095 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.99 64.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.095 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -65.04 -35.24 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.846 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.881 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.35 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.125 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.24 33.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 55.24 112.507 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 134.49 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 63.22 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.5 m -53.93 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 74.24 111.169 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.97 -179.93 16.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 75.22 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -138.07 169.69 17.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 74.23 110.931 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.8 162.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.14 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.38 136.18 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -82.98 160.98 59.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 73.23 110.9 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.74 176.38 32.77 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 -1.809 . . . . 75.11 112.367 -0.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mm -112.89 138.02 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.15 111.156 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.82 154.6 39.81 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.642 0.734 . . . . 75.44 110.845 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.35 22.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 74.43 112.332 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -37.26 47.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 74.02 112.486 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.04 -46.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 74.13 111.108 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.1 -55.65 25.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.949 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.09 -48.9 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -54.86 -39.92 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.26 -35.05 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 75.15 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.4 -35.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 111.123 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.4 -54.35 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.23 111.092 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.28 -34.58 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.135 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.8 mt -77.6 -35.91 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.875 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 p -63.95 -36.71 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.91 155.87 36.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 74.04 110.92 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -173.71 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.23 . . . . 73.0 112.389 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.22 160.9 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 74.31 111.133 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -169.95 -63.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 65.31 111.098 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.921 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 ttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 74.34 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.07 113.74 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.45 111.123 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -89.7 -44.56 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.864 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.8 p -152.07 172.98 15.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.134 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 55.6 mt -142.75 148.73 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.129 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 tp -129.4 119.1 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 71.32 110.875 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.39 115.32 18.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 72.21 111.075 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.96 134.48 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.22 111.121 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -157.03 154.5 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 62.25 110.839 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.96 -42.39 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.832 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.67 112.69 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.874 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -35.57 44.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 71.33 111.107 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -64.91 -43.69 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 53.53 111.085 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 ttp -69.36 -49.66 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 64.14 110.89 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -51.87 -38.24 55.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.903 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.08 -44.2 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.066 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.41 -62.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.927 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 mt -58.84 -46.7 87.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 75.51 110.904 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -52.0 -43.85 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.843 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.22 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.098 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -51.13 -52.97 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.172 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mt -78.4 -40.65 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -49.41 61.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 61.11 111.128 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -64.52 -32.49 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 74.52 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -20.85 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.4 -41.04 1.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 51.34 112.486 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -51.87 154.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 73.34 110.899 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -104.6 104.43 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 55.53 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.74 161.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.04 111.145 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -150.85 115.46 5.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.16 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -95.35 138.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 74.12 111.158 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.12 -175.79 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 65.53 111.107 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.28 -35.09 59.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.096 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -154.68 168.08 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 65.34 110.876 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.65 -32.3 73.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 53.23 112.497 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.89 -47.75 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 72.24 110.918 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.44 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.72 -49.75 28.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.439 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.88 -48.69 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 64.43 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -51.08 -35.79 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.35 -31.02 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 63.22 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.89 -25.17 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.03 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.65 -26.1 30.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.129 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -28.04 19.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -100.98 -36.93 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.179 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.12 80.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.088 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -82.56 -177.87 6.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.923 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.41 -31.86 11.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.879 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.78 124.47 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.906 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.65 140.83 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 64.24 111.145 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -131.73 130.94 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 64.51 110.885 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.6 t -131.97 162.71 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.53 111.118 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -156.93 114.22 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.856 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -175.36 156.57 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.908 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.46 160.57 30.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.54 110.883 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.5 tpp -118.27 67.82 6.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 75.22 110.872 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.02 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 75.52 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.33 -176.3 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.9 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -52.39 113.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.889 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.5 p -127.9 -172.33 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.832 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.73 -31.5 80.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 70.23 112.482 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -50.24 -31.37 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.2 110.93 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -28.18 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 71.55 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -49.72 -31.05 10.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.893 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.4 mt -47.54 -35.05 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.5 111.094 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.31 -47.66 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.15 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 -34.21 72.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 65.25 111.118 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.6 -30.93 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.934 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.868 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.54 25.08 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.32 110.918 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -18.05 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t 64.0 29.47 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.31 -34.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.071 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -111.75 -22.16 11.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.88 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.01 -40.13 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.14 111.109 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -76.7 -33.91 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 61.03 110.907 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.5 m -51.07 133.6 30.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 72.23 111.138 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.89 112.93 3.23 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.646 2.231 . . . . 75.43 112.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.6 mm -113.28 132.69 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.114 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -123.3 118.34 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 71.53 110.886 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 p -104.51 133.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.34 111.101 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.31 149.73 25.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 70.42 110.912 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.6 t -126.34 142.04 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.136 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -51.72 -60.83 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -117.47 -49.28 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.41 50.21 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 72.23 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.99 147.82 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 62.24 110.883 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.65 -36.57 84.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.854 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.8 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.43 111.137 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.91 -36.51 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 61.45 110.925 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -51.77 -36.9 49.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 73.43 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.89 -35.53 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 71.14 111.098 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -60.07 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.093 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -47.69 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 64.2 111.141 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -65.97 -35.56 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.875 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.67 -41.97 87.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 65.53 111.119 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.99 33.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 62.35 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.55 143.9 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 70.02 111.074 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.9 m -57.19 -73.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 74.25 111.127 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.79 178.6 18.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 64.53 112.461 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.78 164.08 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 73.35 110.916 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.55 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.21 111.107 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.78 142.52 34.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.881 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.469 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -101.1 161.43 23.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.525 0.678 . . . . 75.03 110.922 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 175.42 36.5 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 -1.793 . . . . 75.4 112.339 -0.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.3 mm -115.99 140.53 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.151 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.55 154.99 73.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 72.5 110.845 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -33.29 16.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 74.31 112.343 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -42.94 32.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 64.44 112.495 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.52 -50.11 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 73.24 111.138 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.1 tp -51.73 -51.02 59.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.935 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.84 -34.26 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.2 111.144 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.83 -37.43 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 63.2 110.881 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 8.9 p -84.43 -33.81 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.111 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -54.11 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.2 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.46 -34.64 36.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.137 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -79.13 -35.93 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 64.15 110.924 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -61.04 -36.92 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.833 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -102.65 155.9 35.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 74.03 110.831 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.0 22.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 74.01 112.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -113.65 -172.02 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 73.55 111.135 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.9 40.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 70.22 111.13 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.895 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.742 0.306 . . . . 75.52 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.2 105.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.161 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -42.47 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.826 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.3 p -149.18 155.32 40.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 71.04 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.8 mt -134.93 146.19 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.53 111.156 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.61 129.96 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.923 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.15 125.93 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.086 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp -123.15 121.47 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 74.2 111.143 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -144.32 167.45 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.884 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -86.87 -53.09 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.869 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -64.93 126.08 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.855 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 61.01 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -57.77 -44.88 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.199 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 ttt -58.69 -55.62 32.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 73.53 110.87 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -54.24 -36.14 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.51 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.72 -41.3 65.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 71.52 111.109 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.35 -59.64 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.911 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.1 mt -51.6 -36.62 46.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -63.37 -41.47 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.862 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.07 -42.64 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.147 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -51.92 -42.99 63.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.137 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.04 -35.93 23.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.92 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -52.7 64.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.115 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.7 -34.46 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 72.54 110.909 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.6 65.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.26 -34.04 5.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 70.35 112.486 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -51.85 155.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 75.05 110.952 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -97.45 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 p -88.04 144.0 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.125 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.0 m -140.92 145.27 35.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 65.34 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.35 140.56 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.53 111.131 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.8 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 70.14 111.14 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.18 -35.79 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 74.1 111.107 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -152.7 166.14 33.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.887 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.44 -34.58 49.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 74.35 112.452 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -77.91 -36.85 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 72.42 110.896 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.89 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.45 111.081 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.68 -47.7 7.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 62.25 112.441 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.89 -47.65 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 75.32 110.907 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.95 -40.05 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.9 -34.28 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.937 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -19.98 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.51 111.085 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.74 -22.7 59.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 73.14 111.118 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.82 -29.38 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.13 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -99.15 -42.93 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.44 111.116 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 91.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 72.31 111.107 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -88.41 162.32 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -34.86 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.845 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.4 140.49 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.889 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.3 t -136.71 139.57 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.122 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 tp -127.27 128.95 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.904 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 t -113.37 158.53 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 74.03 111.132 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -127.38 -39.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.878 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -58.3 164.68 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 53.2 110.876 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -106.88 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.6 mtm -132.17 73.62 77.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.698 . . . . 75.02 110.901 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -34.43 14.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.242 . . . . 74.32 112.369 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -157.39 -73.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.836 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -157.48 133.86 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.879 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -157.48 -44.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.872 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.32 -32.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 72.2 112.491 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.15 -32.88 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 64.35 110.932 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.85 -28.69 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.01 110.887 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 tp -48.97 -33.08 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.888 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.1 mt -49.71 -39.69 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 73.23 111.127 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.87 -42.33 75.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.115 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.33 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.23 111.097 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.67 -27.09 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 73.2 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -94.86 24.32 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.972 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.31 -21.92 15.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.872 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t 64.36 29.67 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.51 -35.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 74.43 111.115 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -111.47 -25.56 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.858 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.83 -36.12 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 74.55 111.091 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.7 -33.48 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -50.76 134.15 27.61 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.592 0.711 . . . . 73.42 111.149 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 105.7 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.751 2.3 . . . . 72.45 112.297 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.4 mm -110.11 135.61 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.112 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -122.74 119.92 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.25 110.903 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.48 142.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.102 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -84.08 149.94 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.932 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -139.28 164.4 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 73.53 111.162 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.6 p -99.66 -35.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 70.34 111.095 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -128.53 142.97 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.25 55.11 4.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 62.01 112.501 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.78 147.28 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 72.21 110.878 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.11 -36.67 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.83 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.9 -37.0 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 63.22 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.1 -42.27 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 75.51 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -52.04 -36.02 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.88 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.66 80.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.12 111.056 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.21 -60.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 73.33 111.073 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.66 -42.87 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 71.42 111.046 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -67.73 -36.08 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -70.55 -40.74 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.46 87.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 64.52 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.16 33.68 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 73.04 112.467 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.2 141.98 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 74.53 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -64.7 -66.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.34 111.151 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.73 -179.64 16.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 50.2 112.477 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.35 163.48 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 73.21 110.911 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.34 170.52 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.096 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -100.93 138.6 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.4 ptmt -103.4 158.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.562 0.696 . . . . 74.33 110.924 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.0 Cg_endo -69.68 175.66 35.43 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 -1.793 . . . . 75.35 112.356 -0.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.96 149.94 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.069 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.94 158.17 42.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 70.34 110.909 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -36.77 10.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 60.41 112.321 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.34 55.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 75.23 112.513 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.6 t -79.06 -34.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 61.31 111.113 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 tp -70.53 -40.89 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 71.04 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.0 t -72.51 -49.76 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.096 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.56 -32.89 69.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 75.03 110.946 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 37.5 t -84.21 -34.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 71.42 111.13 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.87 59.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.3 111.111 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -51.43 -33.3 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 62.41 111.171 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.73 -34.94 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.924 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -66.27 -48.86 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.848 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 62.27 160.68 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.668 0.747 . . . . 64.13 110.858 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.88 36.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 75.21 112.372 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 52.63 36.47 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.128 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -173.47 68.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 64.44 111.092 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 71.31 110.885 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 75.35 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.6 mm -52.97 113.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 62.32 111.113 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -43.2 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.45 110.871 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 p -143.98 159.91 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 71.02 111.175 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.5 mt -136.43 145.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.45 111.134 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.22 132.81 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.957 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.58 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.055 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mp -141.17 131.09 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.119 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.49 171.22 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.05 110.881 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -106.3 -36.44 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -79.64 116.21 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.04 110.805 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.17 41.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.051 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -57.63 -50.1 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.152 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -51.63 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.02 110.866 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.04 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.847 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.98 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 70.32 111.098 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.46 -62.03 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.948 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 mt -56.99 -47.25 81.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.914 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -59.38 -38.84 81.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.867 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.49 -50.33 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.147 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -50.65 -45.47 57.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 60.02 111.124 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.12 -37.16 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 64.01 110.866 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.27 76.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 62.42 111.094 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -61.08 -32.65 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 -20.67 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.35 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.31 -32.41 6.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 74.24 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -51.98 154.23 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 74.3 110.945 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.0 100.67 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 t -97.95 159.86 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.114 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.7 m -145.8 111.13 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 71.52 111.174 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.54 138.6 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 70.2 111.147 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.05 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.52 111.087 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.41 -35.06 17.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.096 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.05 162.86 35.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 71.55 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.6 -31.7 75.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 75.22 112.444 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.81 -42.48 81.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 71.44 110.89 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.23 -34.69 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.24 111.092 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.92 -50.41 13.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 65.22 112.516 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -48.5 75.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 74.45 110.907 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.36 -35.4 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.09 -27.54 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 71.34 110.894 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.13 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 63.03 111.099 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.01 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 72.23 111.075 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -27.18 29.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 53.43 111.156 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -103.1 -34.46 8.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 74.22 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.86 91.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.33 111.099 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -92.83 -174.89 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.941 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 -34.16 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.855 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 tt -140.9 132.93 27.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.937 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -120.16 135.53 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.179 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -124.59 117.34 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.3 110.912 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 t -118.56 135.89 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 64.32 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -113.53 -67.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.81 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -52.28 160.34 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.921 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -169.72 139.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 73.1 110.889 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mtt -163.0 160.57 18.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 74.52 110.866 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 91.78 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.258 . . . . 73.3 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.78 179.65 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.41 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -112.94 -38.58 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 t -111.65 73.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 72.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.78 -122.19 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 74.04 112.472 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 mt -56.02 -25.58 45.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 75.51 110.933 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.95 -27.13 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 62.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.04 -29.12 8.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.868 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.9 mt -47.22 -34.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.149 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.64 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.115 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.49 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.4 111.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.47 -32.22 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.91 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.19 -47.42 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.872 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -67.5 -34.67 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 70.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.88 150.73 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.915 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -95.3 34.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.858 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.65 -33.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 75.01 111.087 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.55 -22.72 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.1 110.969 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.62 -39.67 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 64.22 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.05 -34.74 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.01 110.914 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.6 m -58.19 132.36 84.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 74.22 111.174 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 74.34 112.319 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.0 mm -113.15 126.33 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 73.42 111.088 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -123.4 114.41 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 71.23 110.943 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.4 p -104.5 147.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 73.44 111.101 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.05 151.47 21.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.975 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -131.39 162.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 55.22 111.117 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.9 p -106.7 -41.38 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.141 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.42 -67.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.6 33.97 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.53 112.501 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.46 176.45 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 74.53 110.849 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.11 -36.79 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.857 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.97 76.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.12 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.51 -41.36 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.5 110.908 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -51.95 -35.86 47.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 75.35 110.877 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.96 75.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.55 111.051 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.73 -61.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.35 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.92 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 70.3 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.2 ttm-85 -73.32 -35.81 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.14 -44.1 89.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.873 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.31 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 52.24 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.43 32.88 1.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 75.32 112.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.5 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 74.15 111.124 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.2 m -59.79 -70.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.158 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.95 172.16 21.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 74.33 112.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -139.21 166.62 24.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 75.13 110.92 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.63 161.94 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.116 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -110.46 105.89 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -54.93 160.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 75.44 110.882 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.8 173.04 46.37 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 -1.798 . . . . 75.14 112.342 -0.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mm -117.11 145.0 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.34 111.164 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.28 156.76 37.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 74.51 110.867 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -32.64 18.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 70.04 112.38 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.52 -37.66 62.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 71.22 112.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.42 -42.75 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 71.41 111.138 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.17 -54.39 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 62.43 110.893 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.62 -46.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.44 111.119 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -54.88 -38.44 67.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 44.2 110.891 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.23 -34.25 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.918 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.13 -34.01 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.164 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.77 22.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 73.33 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -51.17 -33.7 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.143 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.18 -46.88 21.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.912 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.1 t -60.21 -51.0 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 54.15 110.908 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -128.86 153.67 80.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 72.22 110.914 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -171.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 75.32 112.355 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.83 137.37 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 73.05 111.086 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -168.51 59.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.23 111.077 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.903 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 52.33 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -71.93 130.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 74.34 111.083 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.4 -48.66 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.867 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.43 150.38 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.118 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 ' HB3' ' A' ' 49' ' ' LEU . 72.9 mt -133.02 144.93 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.115 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 30' ' ' THR . 27.8 tp -128.57 138.69 52.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.919 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.402 ' H ' HD12 ' A' ' 6' ' ' LEU . . . -134.33 145.75 49.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.44 111.077 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.657 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.8 mp -141.03 108.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.33 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.01 169.92 12.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.858 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -95.16 -36.32 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.25 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -86.75 122.88 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.884 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.42 47.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 72.53 111.144 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -58.37 -47.05 85.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -49.44 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 51.2 110.892 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -36.44 51.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 70.43 110.843 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.03 -42.69 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 23.52 111.103 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.1 tm? -55.72 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 107' ' ' ILE . 50.3 mt -57.63 -36.15 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.934 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -65.22 -38.49 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.32 110.862 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.17 -45.97 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 73.01 111.131 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.8 m -51.67 -47.58 63.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 60.41 111.127 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' HB2' HG11 ' A' ' 29' ' ' VAL . 28.5 mt -75.37 -36.81 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.22 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -53.01 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 51.21 111.08 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -56.45 -34.09 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.893 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.61 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.43 111.09 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.34 -33.13 5.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 53.32 112.462 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -52.36 154.4 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.4 110.908 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -96.11 80.53 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 53.02 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.529 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.3 p -90.66 143.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.143 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.608 ' O ' HD12 ' A' ' 6' ' ' LEU . 85.7 m -139.11 145.6 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.33 111.178 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -107.08 149.68 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.54 111.115 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.82 179.05 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 54.21 111.115 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.54 -35.64 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -151.52 155.63 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.657 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.3 -32.29 36.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.06 -48.28 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 73.34 110.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -35.05 78.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.061 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.39 29.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 74.12 112.469 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 74.25 110.874 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -52.33 -37.02 54.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -84.76 -33.29 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.66 23.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.097 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.86 -27.9 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 63.35 111.1 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -27.68 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 53.51 111.16 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -102.0 -36.43 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.22 111.173 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.73 74.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.111 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.58 174.56 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 60.52 110.913 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.54 -33.9 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 74.52 110.864 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.886 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -138.42 123.71 19.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.896 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.3 t -116.58 141.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -134.14 110.17 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 63.3 110.92 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.834 HG23 HG23 ' A' ' 81' ' ' VAL . 10.2 t -104.92 161.59 14.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.5 111.142 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 63.23 110.857 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 43.11 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -50.77 -31.85 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 62.54 110.898 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 43' ' ' ALA . 15.0 tp -50.47 -32.62 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.92 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.752 ' HA ' HD12 ' A' ' 68' ' ' LEU . 43.7 mt -50.13 -35.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.102 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.13 -50.26 74.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 42.04 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.56 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 65' ' ' ILE . 6.3 mt -75.93 -35.02 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.925 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -67.83 -49.82 60.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.19 154.67 40.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.924 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.56 35.12 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.843 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.49 -32.28 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.04 111.082 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -111.7 -24.64 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.898 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.44 11.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.32 111.107 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.93 -34.73 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.12 110.864 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.45 HG23 ' HD2' ' A' ' 78' ' ' PRO . 88.3 m -57.7 133.79 82.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 75.41 111.173 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.822 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.6 Cg_endo -69.79 134.28 27.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 72.23 112.357 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.509 ' O ' HD13 ' A' ' 80' ' ' LEU . 46.5 mm -130.04 128.03 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.54 111.113 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.886 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -122.1 118.03 27.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.862 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.834 HG23 HG23 ' A' ' 52' ' ' THR . 13.3 p -104.31 133.5 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.104 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.752 HD23 HD13 ' A' ' 103' ' ' ILE . 4.6 mt -84.14 151.12 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 54.42 110.919 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 103' ' ' ILE . 12.7 t -134.34 169.75 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 t -131.32 -39.41 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 71.52 111.119 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -73.02 -35.84 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.886 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.93 43.59 98.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 73.24 112.484 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.72 165.09 12.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 75.21 110.831 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.54 -36.38 38.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.81 79.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.095 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -61.5 -36.75 81.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -51.89 -35.81 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 53.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.32 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 64.33 111.101 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.99 -57.87 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 71.42 111.117 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -43.07 62.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 41.12 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -70.28 -35.79 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.92 -44.02 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.3 76.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.178 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.54 33.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 43.12 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.28 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 64.52 111.105 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 m -56.15 -71.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 71.21 111.12 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.21 -179.46 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.471 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.24 163.9 29.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 75.53 110.93 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.752 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.86 170.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.42 . . . . 63.34 111.158 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.92 132.58 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.75 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -88.98 158.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 74.12 110.858 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.1 Cg_endo -69.75 175.51 36.25 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 -1.804 . . . . 74.3 112.375 -0.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.586 ' HB ' HD21 ' A' ' 18' ' ' LEU . 26.8 mm -115.73 138.97 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 60.3 111.142 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.95 156.12 60.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 75.45 110.833 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.2 Cg_endo -69.78 -33.59 16.2 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 73.14 112.39 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.04 65.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.798 -0.715 . . . . 64.35 112.493 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.5 t -80.9 -47.21 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 64.23 111.127 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 112' ' ' LEU . 3.0 tm? -58.35 -55.54 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.917 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.491 ' CG2' HG22 ' A' ' 21' ' ' THR . 84.0 t -58.19 -35.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 65.55 111.144 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.89 -38.22 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.05 -36.23 83.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 49' ' ' LEU . 10.1 p -84.39 -34.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 72.05 111.125 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.46 27.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.24 111.094 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.33 -34.49 33.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.822 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.3 mt -79.11 -35.97 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.947 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.847 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 70.25 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.801 HD11 ' HB2' ' A' ' 119' ' ' LEU . 41.6 mm -65.35 108.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 61.11 111.137 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -95.44 -41.86 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.863 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.5 p -144.43 159.35 42.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.119 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 22' ' ' LEU . 55.2 mt -141.84 147.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 63.42 111.123 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.951 HD23 HG13 ' A' ' 50' ' ' VAL . 2.6 tp -131.14 138.78 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.919 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -143.76 118.85 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.058 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 51' ' ' LEU . 2.3 mp -110.23 121.42 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 75.31 111.117 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.84 169.45 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.85 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.72 43.45 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 60.41 110.815 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -165.53 123.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.865 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -37.58 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -59.95 -49.84 76.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.124 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.405 ' HE1' ' HA ' ' A' ' 106' ' ' PRO . 1.5 tpt -68.95 -49.1 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.887 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HE ' HG21 ' A' ' 31' ' ' VAL . 26.3 mtp180 -53.88 -37.29 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.839 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 -44.93 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 45.24 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -53.33 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.1 110.94 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.722 HD22 ' CD1' ' A' ' 112' ' ' LEU . 39.5 mt -57.87 -49.45 76.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 61.23 110.892 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -51.91 -36.98 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.55 -46.21 33.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.072 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 109' ' ' PRO . 1.1 m -51.17 -40.94 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.151 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.546 ' CD1' HG21 ' A' ' 5' ' ' ILE . 46.8 mt -83.92 -33.77 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.141 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.83 -37.29 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.933 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -20.7 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.88 -31.56 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 23.11 112.478 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -50.34 153.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 73.34 110.881 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -91.18 81.1 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 22' ' ' LEU . 6.0 p -89.51 138.11 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 62.4 111.102 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -136.08 143.37 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 44.22 111.132 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG21 ' HE ' ' A' ' 15' ' ' ARG . 17.1 m -110.25 138.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 55.41 111.143 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.1 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 55.11 111.078 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.63 -35.53 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.638 ' C ' HG21 ' A' ' 8' ' ' ILE . 39.1 m-20 -155.06 160.29 40.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 54.03 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.539 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.19 -32.06 35.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 64.14 112.503 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -69.42 -51.33 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 61.32 110.921 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.29 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 65.24 111.093 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.23 -53.5 5.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.442 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 65' ' ' ILE . 7.7 m-85 -61.79 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 73.53 110.851 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.4 -39.91 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 mt -85.76 -29.46 23.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 64.14 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.46 -24.29 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.76 -28.3 28.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 71.22 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -28.08 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 55.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -100.16 -36.69 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 61.5 111.13 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 83.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -85.17 177.92 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.948 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.39 -34.1 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 61.31 110.873 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.823 HD21 HD23 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -144.49 124.13 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 51.12 110.912 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.951 HG13 HD23 ' A' ' 6' ' ' LEU . 66.9 t -119.48 141.98 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 53.21 111.164 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.669 ' O ' HD12 ' A' ' 8' ' ' ILE . 9.5 mt -129.97 131.06 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 71.12 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 81' ' ' VAL . 14.8 t -130.61 162.73 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 61.05 111.166 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.867 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.746 0.308 . . . . 74.53 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -50.8 -29.32 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mp -48.9 -33.21 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 39' ' ' PHE . 77.2 mt -50.02 -40.77 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.23 111.124 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.08 -35.38 64.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.102 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -67.68 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.101 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.31 -33.65 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.906 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.36 -48.23 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 75.13 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -61.55 -35.03 76.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 52.41 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -71.76 148.9 45.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 44.43 110.888 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -95.38 35.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.47 -32.34 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 53.12 111.1 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -113.28 -27.47 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.909 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.96 -35.78 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 62.21 111.071 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -83.89 -34.06 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.15 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.444 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.5 m -51.71 133.63 36.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 74.22 111.171 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.79 119.13 6.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 73.45 112.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 80' ' ' LEU . 44.2 mm -121.08 131.46 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 64.22 111.15 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 49' ' ' LEU . 2.0 mm? -122.03 119.39 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.956 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.603 HG23 HG23 ' A' ' 52' ' ' THR . 14.2 p -104.36 134.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 52.23 111.143 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 103' ' ' ILE . 1.6 mt -83.45 150.24 26.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 103' ' ' ILE . 6.3 t -130.52 162.78 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.142 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -117.83 -35.05 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.098 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.6 -35.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 73.14 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.86 33.01 82.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 52.15 112.515 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.87 161.65 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 70.44 110.819 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.52 -36.28 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.03 82.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.105 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -56.39 -38.52 71.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.862 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -51.89 -35.99 47.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.895 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 44.23 111.059 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 72.34 111.124 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.91 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -63.87 -35.69 81.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.9 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.07 -41.25 95.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.15 78.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 72.1 111.104 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.46 32.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 71.22 112.47 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.58 143.46 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 61.12 111.104 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.4 m -59.07 -73.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.135 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.93 -179.1 16.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.481 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.454 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.37 163.15 31.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 75.43 110.928 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.768 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -150.04 170.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.45 111.119 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.87 134.03 48.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 55.12 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 106' ' ' PRO . 2.1 pttp -96.01 159.12 32.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 65.2 110.914 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.7 175.18 37.39 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.729 -1.78 . . . . 62.35 112.296 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.1 mm -116.39 150.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.32 111.182 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.96 155.63 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.697 . . . . 64.45 110.937 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.502 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.9 Cg_endo -69.73 -34.0 15.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 71.14 112.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.76 -34.59 66.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 33.31 112.495 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.4 t -76.46 -49.52 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 72.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.722 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.8 tt -52.83 -58.36 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 62.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.437 ' CG2' HG22 ' A' ' 21' ' ' THR . 88.3 t -53.54 -35.89 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.31 111.123 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.56 -35.78 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.9 mt -68.74 -33.77 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 74.02 110.92 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.7 t -83.8 -34.05 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 21.44 111.169 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.69 -54.75 20.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 73.12 111.074 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.58 -34.63 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.079 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.801 ' HB2' HD11 ' A' ' 2' ' ' ILE . 13.8 mt -74.32 -45.36 47.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.932 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.3 110.86 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 73.4 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.734 HD11 ' HB2' ' A' ' 119' ' ' LEU . 46.9 mm -64.35 112.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.125 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -93.24 -58.71 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 61.25 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.28 164.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.112 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 49' ' ' LEU . 52.2 mt -139.12 147.89 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.754 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -130.16 130.92 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 65.01 110.935 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -130.89 145.77 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 70.43 111.103 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.754 HD11 HD12 ' A' ' 6' ' ' LEU . 4.7 mp -140.71 112.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.11 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.74 171.88 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.862 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -93.17 -52.5 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 65.35 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 t -67.29 120.72 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.904 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 -38.67 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.15 111.101 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.6 m -59.2 -37.38 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.1 111.1 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.35 -45.81 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 71.25 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -57.94 -37.48 74.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 73.33 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.78 -46.57 16.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 43.54 111.075 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.7 tm? -53.2 -61.92 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.791 HD21 ' HB ' ' A' ' 107' ' ' ILE . 6.4 mt -56.39 -48.17 77.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.929 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -52.31 -41.48 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.08 61.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 41.15 111.135 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.1 m -51.44 -42.51 61.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.5 111.175 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.776 HD21 HG21 ' A' ' 116' ' ' VAL . 27.9 mt -83.3 -37.0 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.934 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.79 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.07 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -55.85 -34.08 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 63.42 110.937 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.65 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.23 -32.83 5.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 72.4 112.509 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -52.39 154.46 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 61.41 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -97.75 81.33 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -93.27 143.58 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 53.22 111.134 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.4 m -135.55 140.45 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 63.43 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -96.67 138.73 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 54.25 111.131 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 8' ' ' ILE . . . -100.22 -178.38 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.13 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -35.43 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 62.43 111.111 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.611 ' C ' HG21 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -156.86 164.66 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.33 110.892 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -51.91 -31.93 33.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 64.34 112.457 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.13 -52.49 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 64.11 110.908 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.37 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 72.43 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.04 -47.98 35.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 74.12 112.446 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 2.3 m-85 -63.71 -36.06 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 72.22 110.862 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.37 -23.54 59.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.111 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -14.61 59.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t -114.91 -28.59 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -110.24 -40.18 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.106 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.41 98.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 43.34 111.099 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 6' ' ' LEU . 26.8 m-85 -94.81 162.63 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 64.21 110.919 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 77' ' ' THR . 0.4 OUTLIER -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 62.42 110.896 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.749 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -136.06 136.55 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 60.5 110.922 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.33 136.62 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.44 111.112 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' A' ' 7' ' ' ALA . 10.0 mt -127.17 109.94 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.901 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.551 HG21 ' CE2' ' A' ' 39' ' ' PHE . 9.6 t -115.52 145.65 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.165 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HB2' HD12 ' A' ' 82' ' ' LEU . 27.8 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.1 110.922 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.774 0.321 . . . . 73.41 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.24 -30.88 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 72.24 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.35 -32.3 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.883 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.63 ' HA ' HD12 ' A' ' 68' ' ' LEU . 41.7 mt -49.3 -37.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.148 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.05 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 62.52 111.125 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -31.51 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.091 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 65' ' ' ILE . 2.3 mt -80.08 -33.88 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.889 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -51.71 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 64.34 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.8 -35.02 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.939 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.48 150.28 45.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -95.2 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.18 -31.93 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 73.25 111.131 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -112.14 -24.78 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.916 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.75 -35.39 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 45.11 111.12 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -83.38 -35.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' ASP . 89.1 m -54.19 125.8 51.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 64.43 111.16 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.275 . . . . 65.01 112.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.687 ' O ' HD23 ' A' ' 80' ' ' LEU . 46.8 mm -102.86 143.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.149 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 79' ' ' ILE . 50.9 mt -134.81 117.6 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 71.41 110.941 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG13 ' HB2' ' A' ' 102' ' ' TRP . 14.7 p -104.38 134.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 70.13 111.16 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.695 HD23 ' CD1' ' A' ' 103' ' ' ILE . 3.6 mt -83.88 152.11 24.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.938 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -142.38 165.38 27.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 44.42 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 t -100.76 -35.12 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -131.98 148.81 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 54.25 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.3 t -85.05 125.65 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 72.32 110.822 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.72 -36.89 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 74.52 110.848 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.92 72.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.14 111.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -65.18 -40.44 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.834 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -51.95 -36.73 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.66 81.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -53.86 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 54.22 111.063 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.41 111.097 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -68.57 -35.9 78.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.915 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.0 -37.91 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 54.34 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.26 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 53.54 111.066 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.82 38.82 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 72.31 112.536 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.6 147.61 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 64.53 111.112 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -66.9 -61.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 65.21 111.158 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.82 174.12 25.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 62.34 112.478 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.47 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.98 163.67 30.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 75.54 110.896 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.695 ' CD1' HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.9 158.9 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.65 132.03 50.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.919 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 11.0 mtpt -76.9 160.37 76.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 71.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.76 176.38 32.84 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 -1.817 . . . . 71.23 112.373 -0.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.791 ' HB ' HD21 ' A' ' 18' ' ' LEU . 31.5 mm -111.1 138.62 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 71.01 111.144 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.21 155.04 52.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 71.02 110.847 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.71 -31.88 19.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 75.02 112.384 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.14 -43.22 33.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 42.42 112.514 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -66.56 -47.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 74.34 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.787 HD13 HD22 ' A' ' 18' ' ' LEU . 7.2 tp -55.72 -42.78 75.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 70.04 110.881 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.57 ' CG2' HG22 ' A' ' 21' ' ' THR . 98.9 t -74.16 -35.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 61.43 111.147 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -62.87 -35.96 81.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 80' ' ' LEU . 94.5 mt -69.85 -33.39 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.909 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.776 HG21 HD21 ' A' ' 22' ' ' LEU . 21.5 t -82.0 -32.96 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.09 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.3 -55.71 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 51.45 111.081 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -51.26 -34.37 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.734 ' HB2' HD11 ' A' ' 2' ' ' ILE . 7.2 mt -73.64 -47.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 50.15 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.0 110.815 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 73.4 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.421 HG21 HD11 ' A' ' 5' ' ' ILE . 49.0 mm -60.7 103.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.152 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -92.82 -46.61 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 63.52 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.9 p -140.39 160.04 40.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 43.23 111.145 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 49' ' ' LEU . 57.0 mt -142.1 146.11 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.73 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -123.35 135.71 54.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.905 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.561 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -135.4 146.82 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 52.44 111.117 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.73 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -140.64 114.94 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.01 111.141 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.0 165.52 24.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.858 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.42 37.05 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 51.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -156.19 122.43 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 61.23 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.7 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 43.35 111.083 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.4 m -63.76 -52.94 58.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 70.02 111.166 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.56 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.11 110.877 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.409 ' O ' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.98 -36.23 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.893 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.33 -36.85 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 73.43 111.078 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.97 -61.34 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 61.13 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.42 -35.18 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.922 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -70.05 -39.13 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 63.2 110.88 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.88 47.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.0 m -51.43 -44.59 62.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 62.33 111.149 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.682 ' HB2' HG11 ' A' ' 29' ' ' VAL . 20.7 mt -78.34 -38.31 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 70.33 110.922 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 52.1 111.079 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -55.78 -33.93 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 70.03 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.64 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.098 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.2 -32.43 6.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.747 . . . . 60.33 112.489 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -51.91 154.44 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.366 . . . . 74.31 110.932 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.35 76.04 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 64.11 110.906 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.8 p -90.15 144.15 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 52.13 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.1 m -139.73 144.85 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 63.23 111.142 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG11 ' O ' ' A' ' 15' ' ' ARG . 17.0 m -100.04 154.21 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.31 111.151 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.77 -176.97 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 60.32 111.109 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.1 -35.67 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.45 111.097 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -153.47 163.04 40.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 61.04 110.893 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.572 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.4 -32.76 38.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 52.13 112.48 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -78.18 -44.98 24.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 72.5 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.04 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.081 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 -51.42 6.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 61.52 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.93 -46.68 86.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 73.13 110.911 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.77 -40.54 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 75.55 110.859 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -80.49 -34.05 36.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.03 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.5 -25.75 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 31.22 111.104 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.85 -29.05 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.109 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -27.79 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.155 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.71 -34.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.41 111.16 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 88.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.32 111.112 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.718 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 62.6 m-85 -91.17 174.46 7.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.943 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 77' ' ' THR . 1.2 t70 -85.5 -36.04 20.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 73.13 110.859 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.629 HD12 HG23 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -138.25 140.33 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 44.23 110.897 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 t -120.36 149.21 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.092 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -138.63 116.02 11.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.91 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.746 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -123.34 156.96 34.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 61.5 111.174 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.825 ' HB3' HD12 ' A' ' 82' ' ' LEU . 22.1 p-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 63.31 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.3 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.779 0.323 . . . . 74.14 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.62 -32.16 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.41 -32.9 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -50.11 -35.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 61.4 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.66 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.16 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.44 111.082 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.547 HD23 ' CD2' ' A' ' 74' ' ' TYR . 11.0 mp -79.42 -34.76 41.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 45.31 110.913 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -58.56 -52.07 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.34 110.837 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.87 -35.21 66.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 45.34 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.35 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -95.36 35.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.28 -32.16 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 52.33 111.081 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.547 ' CD2' HD23 ' A' ' 68' ' ' LEU . 9.7 m-85 -112.27 -25.87 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 75.11 110.931 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.39 -35.8 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.41 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.16 -35.43 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.886 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP . 87.3 m -54.19 125.71 50.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.525 0.679 . . . . 71.23 111.144 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.722 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.9 Cg_endo -69.73 92.45 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 73.23 112.357 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.576 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.1 mm -80.77 139.31 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.118 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 79' ' ' ILE . 20.9 mt -126.87 118.44 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.923 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.746 HG23 HG23 ' A' ' 52' ' ' THR . 11.4 p -113.65 147.85 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.45 111.156 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' A' ' 53' ' ' ASP . 62.0 mt -94.29 151.23 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 55.42 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.0 t -133.0 145.51 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.155 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -94.53 -35.37 12.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 62.43 111.145 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.79 -70.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.62 39.32 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.518 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -113.38 166.91 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 73.34 110.872 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.18 -44.07 97.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 54.24 110.898 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.17 -41.3 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.097 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.38 -41.7 97.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 63.01 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -52.0 -36.59 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.36 80.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -59.42 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 -47.09 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.75 -35.61 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 72.14 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.9 -41.49 97.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.18 35.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.452 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.89 162.03 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 64.11 111.098 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 m -97.86 -56.51 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.21 111.137 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.6 166.02 23.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.88 164.64 29.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 65.33 110.905 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -145.36 169.77 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.14 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -108.21 101.0 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.842 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.528 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.35 155.89 89.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 72.21 110.893 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.72 167.33 71.32 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 -1.801 . . . . 65.33 112.341 -0.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.84 149.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.27 157.93 47.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 73.11 110.887 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.78 -36.04 11.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 62.5 112.315 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.03 -39.19 54.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 115' ' ' LEU . 93.6 t -68.54 -47.23 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 72.13 111.131 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.69 -54.39 42.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 70.43 110.909 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 109' ' ' PRO . 98.1 t -52.79 -35.17 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.23 111.148 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -70.54 -37.15 74.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' HG12 ' A' ' 111' ' ' VAL . 3.2 mp -65.43 -36.61 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.953 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.629 HG23 HD12 ' A' ' 49' ' ' LEU . 10.1 p -84.45 -34.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 53.43 111.118 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.41 47.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 23.35 111.122 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -51.43 -33.87 32.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.166 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.722 HD13 ' CG ' ' A' ' 78' ' ' PRO . 9.6 mt -80.77 -35.96 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.798 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 63.23 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 119' ' ' LEU . 42.2 mm -70.91 129.62 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 43.43 111.128 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -118.09 -46.65 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.1 p -137.34 162.74 32.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 44.43 111.149 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.7 mt -143.13 147.15 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.3 111.147 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -128.61 135.58 49.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.9 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -132.39 144.79 50.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.054 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.775 HD11 HD12 ' A' ' 6' ' ' LEU . 5.1 mp -141.26 112.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 61.5 111.11 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.37 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.883 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.78 78.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.89 112.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.869 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -51.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 65.21 111.087 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -55.45 -35.29 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.122 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.17 -49.75 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.23 110.888 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.604 HH21 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.59 -34.16 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.871 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -35.28 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.21 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.55 -62.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.928 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 HH21 ' A' ' 15' ' ' ARG . 66.0 mt -52.07 -35.48 47.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.939 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -67.23 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.9 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.55 -44.12 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 54.31 111.108 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.1 m -50.72 -42.91 57.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 62.42 111.12 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.576 ' HB2' HG11 ' A' ' 29' ' ' VAL . 18.8 mt -84.39 -35.11 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.13 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 21.51 111.119 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -55.57 -34.12 64.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.55 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.82 -20.63 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.56 -32.37 6.84 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 64.35 112.454 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -51.86 153.88 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 72.42 110.939 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.95 76.09 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -84.43 144.01 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.11 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -140.5 137.34 33.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.159 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -96.4 161.96 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.55 111.124 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.0 -177.43 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.094 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.37 -35.34 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 54.11 111.104 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.37 160.42 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 60.11 110.871 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.629 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -51.87 -31.49 31.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.491 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -74.06 -47.14 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 74.32 110.938 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -34.97 72.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.064 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.26 -45.16 11.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 73.21 112.514 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.41 -47.0 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.365 . . . . 74.13 110.896 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.42 -39.47 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 54.24 110.855 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.7 mt -83.19 -33.3 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.901 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.54 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.11 111.082 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.89 -27.77 26.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 40.23 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -27.76 23.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 64.01 111.168 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.7 m -101.93 -36.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.126 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.69 75.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 61.21 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.727 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 66.9 m-85 -76.41 166.25 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.967 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 77' ' ' THR . 2.1 m-20 -82.15 -34.41 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.53 110.876 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.841 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 tt -141.7 125.11 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.881 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.581 ' O ' HD12 ' A' ' 51' ' ' LEU . 21.8 t -122.77 149.45 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 55.13 111.168 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 50' ' ' VAL . 5.3 mp -133.73 121.95 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.693 HG23 HG23 ' A' ' 81' ' ' VAL . 5.9 t -115.59 162.16 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 54.52 111.168 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' CA ' HD12 ' A' ' 82' ' ' LEU . 19.7 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.921 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.76 0.314 . . . . 74.25 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -51.77 -29.62 19.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.942 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 mt -49.37 -32.08 10.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 74.5 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -48.95 -34.8 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 64.04 111.114 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.05 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.13 111.107 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.515 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -66.6 -36.88 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.109 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.95 -33.92 76.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.889 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.18 -44.11 80.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 62.13 110.851 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -73.39 -35.72 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.954 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 67' ' ' ALA . 8.6 mt -67.95 146.13 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -95.35 34.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.13 110.86 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.6 -33.72 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.32 111.095 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.74 -27.49 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.904 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.77 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 43.43 111.105 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.01 -35.51 56.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 48' ' ' ASP . 62.6 m -52.33 126.33 36.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 71.43 111.115 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.485 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.79 98.88 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 64.41 112.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 80' ' ' LEU . 46.5 mm -92.23 135.33 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 74.21 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.841 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -123.85 121.97 36.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.881 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.693 HG23 HG23 ' A' ' 52' ' ' THR . 11.9 p -104.21 140.54 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.2 111.167 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' A' ' 105' ' ' LYS . 1.8 mt -84.13 149.01 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.942 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 103' ' ' ILE . 15.1 t -144.44 172.77 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 61.54 111.145 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -134.39 -40.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -60.34 -74.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 70.03 110.836 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.47 38.04 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 75.51 112.483 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -115.88 134.22 55.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.1 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 4.0 m-20 -53.28 -30.72 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.126 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.25 -52.06 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 88' ' ' ASP . 9.4 ptmt -61.12 -32.82 72.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.88 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.094 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.05 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.058 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.03 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -70.52 -35.79 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.52 -40.12 78.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.868 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.16 75.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.97 37.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 65.12 112.498 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.05 122.64 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 30.12 111.124 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.6 m -51.2 -55.94 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 61.13 111.17 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.89 -179.41 30.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 61.14 112.477 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.596 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.26 164.22 29.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 74.15 110.841 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pp -150.16 170.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.154 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -99.68 118.92 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.804 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.519 ' CB ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -91.12 160.08 38.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 35.55 110.894 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.73 174.97 38.33 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 -1.809 . . . . 75.12 112.348 -0.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.433 HD11 HD13 ' A' ' 103' ' ' ILE . 28.9 mm -115.02 142.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.114 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.24 156.94 90.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 51.4 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.2 Cg_endo -69.82 -37.73 8.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 70.15 112.327 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.18 -33.2 57.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.488 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.37 -50.31 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 72.5 111.129 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.528 HD22 HD22 ' A' ' 18' ' ' LEU . 1.5 tp -51.19 -39.12 55.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.938 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 109' ' ' PRO . 88.3 t -69.51 -33.11 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.108 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 65.33 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.56 -42.39 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 5' ' ' ILE . 9.1 p -84.32 -33.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 65.11 111.174 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.51 26.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.38 -34.86 36.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.13 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.619 ' HB2' HD11 ' A' ' 2' ' ' ILE . 14.0 mt -74.64 -44.25 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 61.35 110.95 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.825 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.724 0.297 . . . . 73.42 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.83 115.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -93.27 -44.32 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.8 p -150.88 167.03 28.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 54.22 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.457 ' CD1' HD22 ' A' ' 22' ' ' LEU . 53.2 mt -139.72 140.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.13 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.715 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -121.83 131.89 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.881 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB1' ' NH2' ' A' ' 15' ' ' ARG . . . -136.8 148.9 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 42.53 111.101 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.705 HD11 HD12 ' A' ' 6' ' ' LEU . 3.9 mp -140.7 138.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 61.34 111.1 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -159.62 169.98 22.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.898 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.18 -63.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 53.14 110.912 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -51.7 107.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.01 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 62.33 111.092 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.9 m -51.63 -35.43 41.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.154 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -59.05 -56.11 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.879 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.599 ' NH2' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -51.94 -37.2 51.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 45.12 111.101 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' HD22 ' A' ' 17' ' ' LEU . 1.6 tm? -73.98 -53.68 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.705 HD23 ' CD1' ' A' ' 112' ' ' LEU . 5.3 mp -60.39 -42.59 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.937 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.548 ' ND1' HG13 ' A' ' 29' ' ' VAL . 81.1 t60 -54.92 -44.11 73.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.883 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 53.53 111.102 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -57.59 -58.23 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.129 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 116' ' ' VAL . 13.3 mt -71.14 -44.66 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 52.42 110.899 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.35 -54.8 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 61.43 111.123 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -57.04 -33.72 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.75 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.21 111.129 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.72 -33.29 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 63.13 112.492 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.47 152.58 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 63.44 110.915 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.2 80.44 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 60.35 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.548 HG13 ' ND1' ' A' ' 19' ' ' HIS . 4.5 p -84.44 132.56 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 44.04 111.144 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.8 m -121.3 137.71 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.13 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -105.28 140.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 53.02 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.28 -175.96 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 42.52 111.108 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.94 -37.3 15.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 64.4 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' C ' HG21 ' A' ' 8' ' ' ILE . 6.1 t70 -151.53 163.03 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.914 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.16 -32.89 36.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 61.05 112.531 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.02 -47.84 41.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.362 . . . . 71.34 110.904 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.13 76.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 64.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.41 -50.67 11.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 35.33 112.487 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.67 -48.64 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 70.23 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.79 -37.08 50.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.868 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.48 -33.27 25.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.1 -25.91 24.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 63.24 111.106 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.75 -27.89 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.54 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.93 -27.81 24.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 74.23 111.138 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.467 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 5.5 m -101.87 -35.49 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.199 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.48 82.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 62.32 111.137 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.715 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 81.7 m-85 -86.24 174.58 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.955 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.89 -35.67 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 43.11 110.889 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.683 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -138.31 128.44 25.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.03 110.919 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.696 ' O ' HD22 ' A' ' 51' ' ' LEU . 24.1 t -113.73 142.41 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.137 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 50' ' ' VAL . 3.9 mm? -130.88 113.01 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 81' ' ' VAL . 2.7 t -119.52 159.45 24.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.12 111.151 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.881 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.806 0.336 . . . . 72.14 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.28 -31.94 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.892 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 68' ' ' LEU . 4.2 mm? -50.11 -34.27 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.901 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.1 mt -50.28 -43.63 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.79 -56.21 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.41 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 60.12 111.096 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 64' ' ' LEU . 9.8 mp -56.45 -34.26 66.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.932 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.14 -35.65 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 60.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.64 -42.17 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.61 149.84 48.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 61.51 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -95.63 34.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.41 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.84 -33.2 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 75.2 111.082 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.36 -29.02 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 71.42 110.97 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.56 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 52.25 111.087 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.61 -33.68 27.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.435 HG23 ' HD2' ' A' ' 78' ' ' PRO . 89.4 m -51.62 133.74 35.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 70.33 111.151 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.484 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 71.35 112.331 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.683 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.6 mm -103.42 141.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.11 111.165 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 79' ' ' ILE . 26.3 mt -131.71 115.02 15.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.906 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.674 HG23 HG23 ' A' ' 52' ' ' THR . 14.7 p -107.97 149.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.088 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 52' ' ' THR . 2.8 mp -97.93 151.34 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 103' ' ' ILE . 7.5 t -130.93 153.63 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.13 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.4 p -98.33 -36.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 71.32 111.132 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.73 -73.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 61.2 110.856 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.45 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 73.41 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -103.29 152.43 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 60.22 110.865 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -54.7 -39.69 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 55.54 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.29 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 51.23 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.27 -39.84 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -52.67 -36.39 56.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.913 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.13 111.132 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.04 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 71.25 111.08 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.57 -39.07 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.2 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -72.48 -35.75 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.3 -36.24 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.35 83.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 52.42 111.122 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.63 33.6 0.65 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 71.43 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.25 141.33 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 71.51 111.136 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -77.25 -56.46 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 70.43 111.129 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.49 167.4 23.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 34.24 112.496 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.56 164.78 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.714 0.292 . . . . 65.01 110.919 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.7 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.78 168.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 62.31 111.106 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.12 120.08 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -77.2 157.79 80.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 75.4 110.893 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.73 174.52 40.15 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 -1.796 . . . . 73.31 112.352 -0.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.4 mm -114.89 139.76 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 72.32 111.121 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.95 158.32 39.88 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.702 . . . . 72.52 110.919 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.1 Cg_endo -69.73 -32.84 17.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 21.25 112.338 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.76 -38.72 49.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 61.32 112.464 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.62 -40.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 73.41 111.142 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.705 ' CD1' HD23 ' A' ' 18' ' ' LEU . 7.7 tt -60.44 -56.53 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 109' ' ' PRO . 96.1 t -53.12 -35.83 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.101 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.52 -36.21 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.941 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 49' ' ' LEU . 23.8 t -84.38 -35.25 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.33 111.172 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.55 -54.83 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 73.33 111.141 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.8 t -51.66 -35.09 41.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 71.3 111.139 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 78' ' ' PRO . 37.0 mt -76.24 -43.91 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.902 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.828 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.725 0.298 . . . . 75.24 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.67 125.99 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 71.02 111.176 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -108.67 -50.26 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.823 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.7 p -138.26 161.68 36.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.12 111.116 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.642 ' CD1' HD22 ' A' ' 22' ' ' LEU . 53.7 mt -142.84 143.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 61.52 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.765 HD12 ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -133.55 129.56 37.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.927 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.96 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -133.72 156.23 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.132 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.9 mp -140.56 136.99 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 52.14 111.145 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.08 172.0 15.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 63.3 110.87 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.48 -61.14 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.859 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 m -54.05 102.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.886 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -35.78 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 61.42 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -62.6 -41.28 98.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 74.15 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.2 ttt -62.0 -56.94 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.889 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.435 HH22 HD13 ' A' ' 18' ' ' LEU . 5.0 mmp_? -59.97 -33.77 72.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.99 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.5 tm? -72.7 -43.7 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.92 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.704 ' CD2' HD22 ' A' ' 112' ' ' LEU . 33.0 mt -70.51 -44.22 68.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.962 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.474 ' ND1' HG13 ' A' ' 29' ' ' VAL . 66.7 t60 -51.77 -43.18 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.839 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.4 78.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.05 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.558 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -59.14 -57.5 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.15 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.642 HD22 ' CD1' ' A' ' 5' ' ' ILE . 16.3 mt -67.87 -37.42 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.2 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.4 111.101 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -63.93 -33.39 75.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.962 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 -20.59 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 42.24 111.065 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.07 -32.81 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 55.21 112.463 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -58.34 152.82 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.44 110.929 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.65 78.52 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 75.12 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG13 ' ND1' ' A' ' 19' ' ' HIS . 5.7 p -84.97 135.89 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.083 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -133.4 146.9 51.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 61.13 111.132 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -118.91 138.79 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.108 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.39 -176.37 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.093 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.52 -35.52 22.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.22 111.091 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' C ' HG21 ' A' ' 8' ' ' ILE . 8.3 m-20 -151.77 166.27 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 65.34 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.491 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -56.1 -34.15 61.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 71.32 112.48 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -68.43 -48.48 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.47 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.095 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.42 -45.2 11.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.755 -0.736 . . . . 54.35 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -65.91 -46.43 78.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 75.24 110.847 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.37 -36.16 61.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.63 -32.22 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.874 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -26.07 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 54.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB2' HD21 ' A' ' 64' ' ' LEU . . . -85.21 -27.22 26.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 44.1 111.105 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -27.76 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.176 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.424 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.2 m -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.106 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.92 66.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 73.21 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.765 ' CE1' HD12 ' A' ' 6' ' ' LEU . 78.5 m-85 -67.19 160.35 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.35 110.946 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 77' ' ' THR . 1.5 m-20 -74.63 -33.83 62.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 62.22 110.809 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' A' ' 5' ' ' ILE . 1.1 tt -137.69 128.22 26.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.911 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 22.4 t -116.16 147.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.33 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.96 HD12 ' HB2' ' A' ' 7' ' ' ALA . 10.2 mt -138.4 111.47 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 71.12 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.6 t -121.56 162.73 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.51 111.131 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 72.02 110.872 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.769 0.319 . . . . 53.2 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.49 -24.94 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 64.2 110.891 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 43' ' ' ALA . 11.2 tp -48.58 -32.78 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 41.01 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.591 ' HA ' HD12 ' A' ' 68' ' ' LEU . 66.3 mt -48.59 -39.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.11 111.132 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.17 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.058 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.95 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 53.14 111.055 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 65' ' ' ILE . 3.4 mt -79.94 -33.67 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.888 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.58 -51.86 68.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.837 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.95 -35.19 66.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.36 151.28 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 64.42 110.938 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -95.47 34.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.902 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.46 -32.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 72.04 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.88 -24.54 10.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.951 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.12 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.51 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -84.87 -34.53 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 48' ' ' ASP . 38.0 m -51.7 128.12 34.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.533 0.682 . . . . 63.21 111.153 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 102.71 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 73.04 112.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' O ' HD23 ' A' ' 80' ' ' LEU . 49.2 mm -91.88 130.88 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.157 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 79' ' ' ILE . 21.4 mt -123.36 118.05 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.919 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.14 138.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 61.35 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.747 HD23 HD13 ' A' ' 103' ' ' ILE . 9.1 mt -83.9 148.12 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 62.45 110.922 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.649 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 15.4 t -146.51 175.23 10.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.133 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.495 HG23 ' HE3' ' A' ' 105' ' ' LYS . 17.8 p -127.68 -44.29 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 71.53 111.141 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -166.56 66.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.06 -21.29 13.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 62.12 112.512 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 t 63.25 179.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 72.23 110.879 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.8 -34.64 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 71.34 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.53 -30.99 55.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 54.23 111.101 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -81.03 -35.11 32.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.87 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -50.72 -33.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.867 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.11 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 75.12 111.1 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.64 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.34 -36.15 76.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.02 -42.79 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.108 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.37 37.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 74.22 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.2 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 71.33 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.6 m -102.78 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.145 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.81 175.4 21.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 73.05 112.46 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.649 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.05 162.58 33.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 74.1 110.935 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.747 HD13 HD23 ' A' ' 82' ' ' LEU . 1.2 pp -150.72 170.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.107 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -104.07 134.4 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.873 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.746 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -100.87 158.64 31.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 74.53 110.917 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.82 175.79 35.36 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 -1.798 . . . . 55.42 112.331 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 18' ' ' LEU . 24.4 mm -112.83 143.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 65.44 111.129 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.66 156.12 61.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 73.13 110.889 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.521 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.73 -34.79 13.97 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.7 2.267 . . . . 43.41 112.302 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.68 -35.79 62.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 71.42 112.474 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.2 t -83.45 -35.09 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 75.11 111.176 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 18' ' ' LEU . 5.8 tp -65.8 -36.76 84.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.558 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.2 t -80.23 -27.93 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.138 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -72.95 -43.28 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 112' ' ' LEU . 1.3 pp -63.44 -34.91 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 61.21 110.893 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.4 p -84.51 -33.96 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 63.11 111.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.29 -52.3 53.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 70.51 111.134 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 115' ' ' LEU . 11.1 t -51.77 -33.43 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -82.06 -35.73 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.888 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.12 110.897 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 74.24 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.33 98.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.149 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -95.33 -49.44 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 52.35 110.882 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 28' ' ' GLU . 34.2 p -132.37 160.37 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 72.42 111.137 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' ' 49' ' ' LEU . 56.9 mt -141.96 141.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.181 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.617 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -126.49 131.46 51.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.948 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.617 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -140.12 153.05 46.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.094 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.568 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -141.09 139.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.127 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -163.19 172.39 14.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.884 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.8 -53.49 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.835 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -61.76 101.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 31.12 110.875 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -35.67 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 62.02 111.062 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 m -62.67 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.22 111.172 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.44 -57.04 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.898 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.502 HH22 HD13 ' A' ' 18' ' ' LEU . 5.0 mmp_? -59.5 -34.11 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.875 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.7 -35.5 78.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.108 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.0 tm? -71.84 -53.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 61.51 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.765 HD22 HD22 ' A' ' 112' ' ' LEU . 10.8 mt -62.26 -40.28 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 65.54 110.948 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -51.63 -42.41 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 53.25 110.802 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.11 -35.45 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 64.11 111.138 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.6 m -55.35 -42.56 74.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 60.33 111.12 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 5' ' ' ILE . 19.0 mt -83.85 -34.67 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.906 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.71 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 44.41 111.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.91 -37.97 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.76 -20.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.082 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.06 -33.37 5.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 75.42 112.474 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.75 153.62 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.21 110.951 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HB3' HG22 ' A' ' 4' ' ' THR . 7.4 tp10 -100.46 80.95 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG11 ' HB2' ' A' ' 22' ' ' LEU . 4.3 p -91.35 139.74 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.31 111.143 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -135.42 148.73 49.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.5 111.165 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.08 138.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.53 111.147 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.4 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.58 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 64.43 111.075 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.91 164.15 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.838 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.82 64.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 62.15 112.473 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.87 -42.78 80.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.0 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 61.21 111.155 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.99 -47.25 32.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 64.23 112.475 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.51 ' HE2' HG21 ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.36 -36.23 74.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 74.22 110.877 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.19 -49.04 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.04 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.64 -43.78 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 65.43 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.99 50.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.063 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.61 71.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 71.35 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.12 -31.35 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.156 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.6 m -79.83 -38.43 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.169 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.72 82.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 52.32 111.067 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.38 -35.25 68.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 44.53 110.854 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.618 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -137.56 134.25 35.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.905 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.64 150.08 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.21 111.152 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 80' ' ' LEU . 11.7 tp -139.65 129.7 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.2 t -149.03 148.61 29.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 51.34 111.125 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.612 ' OD1' HD13 ' A' ' 82' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.851 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 74.44 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -50.79 -30.78 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 65.43 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.8 mt -49.67 -33.73 16.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.954 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.6 mt -49.97 -40.1 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 70.13 111.094 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.21 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 63.25 111.099 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.05 -33.68 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 65.04 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -70.37 -51.58 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 63.01 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -55.84 -35.12 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.01 152.51 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 t -95.16 35.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 61.34 110.871 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.46 -31.44 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 62.01 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -113.31 -24.73 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 71.43 110.901 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.31 -36.71 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 71.3 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.75 -35.61 44.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 48' ' ' ASP . 91.2 m -51.91 125.7 31.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.589 0.709 . . . . 72.1 111.14 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.77 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.6 Cg_endo -69.78 94.82 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 35.32 112.345 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 80' ' ' LEU . 43.3 mm -87.31 135.31 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 60.33 111.182 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 51' ' ' LEU . 21.7 mt -125.51 119.62 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 94' ' ' ALA . 11.6 p -108.81 135.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 65.44 111.121 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.716 HD11 ' HG ' ' A' ' 51' ' ' LEU . 2.2 mp -84.14 149.8 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.434 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 7.6 t -127.86 146.78 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.34 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -100.16 -34.48 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.08 -42.02 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.62 49.35 24.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 61.44 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.78 161.76 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 63.32 110.874 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.58 -37.8 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 74.5 110.874 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.34 86.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.53 111.156 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.17 -37.72 81.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -52.12 -35.83 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.942 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.02 82.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 53.23 111.077 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.12 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 81' ' ' VAL . . . -52.01 -47.3 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.098 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -64.92 -35.61 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 54.43 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.66 -41.61 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.13 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.44 44.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 73.23 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.42 151.13 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 74.21 111.099 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.9 m -79.77 -64.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 44.21 111.163 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.81 175.42 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 41.43 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.434 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.01 164.03 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.711 0.291 . . . . 74.42 110.922 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 82' ' ' LEU . 1.1 pp -149.76 170.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 54.11 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.08 134.53 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.9 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.518 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 pttm -100.22 158.52 31.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 72.14 110.879 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.78 175.61 35.93 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 -1.802 . . . . 64.15 112.33 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.84 141.42 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.119 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 157.79 57.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 73.21 110.886 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.503 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.76 -35.72 12.14 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 75.13 112.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.61 -37.33 58.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 74.25 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.47 -46.64 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 54.21 111.144 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.765 HD22 HD22 ' A' ' 18' ' ' LEU . 5.7 tp -59.07 -60.35 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 62.21 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.529 ' CG2' HG22 ' A' ' 21' ' ' THR . 99.8 t -51.45 -35.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.42 111.093 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.5 -35.75 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.898 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.85 -34.86 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.5 t -84.28 -34.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.096 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.59 25.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 65.44 111.105 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.26 -34.82 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.77 HD13 ' HG3' ' A' ' 78' ' ' PRO . 33.0 mt -70.78 -46.25 63.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.42 110.82 -179.877 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.11 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.19 141.9 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -134.2 -46.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.21 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.111 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.592 ' CD1' HD22 ' A' ' 22' ' ' LEU . 64.4 mt -132.37 143.68 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.43 111.122 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.799 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -120.58 133.32 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 63.53 110.922 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.594 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -131.13 147.01 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.103 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.799 HD11 HD12 ' A' ' 6' ' ' LEU . 4.3 mp -140.62 108.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.15 171.41 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.897 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -103.36 -48.23 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -52.34 110.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 54.55 110.838 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.9 -35.8 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 40.41 111.102 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 m -70.16 -38.62 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.143 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.587 ' CE ' HD23 ' A' ' 17' ' ' LEU . 4.0 tpt -68.88 -50.83 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 60.34 110.922 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.49 -36.8 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.4 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.49 -44.97 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 64.21 111.112 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD23 ' CE ' ' A' ' 14' ' ' MET . 21.3 tp -62.2 -61.55 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.884 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD22 ' HG ' ' A' ' 112' ' ' LEU . 92.4 mt -51.44 -35.93 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 50.23 110.91 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -63.38 -41.33 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.01 110.878 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.38 47.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 72.04 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.602 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.6 m -51.42 -44.02 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 64.52 111.097 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.592 HD22 ' CD1' ' A' ' 5' ' ' ILE . 7.8 mt -84.04 -36.37 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 72.14 110.897 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -53.02 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 71.23 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -55.84 -33.6 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.92 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.66 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.33 111.075 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 -33.28 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -54.79 154.26 5.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.41 110.894 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.97 80.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.51 143.7 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 53.14 111.137 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -139.36 137.83 36.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.97 138.88 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.33 111.066 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.32 179.26 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 33.31 111.111 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.07 -35.36 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 53.3 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -156.94 162.51 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.848 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.554 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.15 -32.19 35.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 45.31 112.467 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.71 -50.72 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 73.03 110.91 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.62 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 70.44 111.132 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.12 -52.18 9.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.22 112.48 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.16 -47.59 76.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 64.53 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.73 -36.13 45.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.896 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.81 -33.38 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.94 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.97 24.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 41.54 111.077 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.94 -28.37 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 64.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -27.72 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 64.21 111.152 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -101.98 -36.35 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.082 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.22 67.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 71.51 111.132 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.754 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 70.0 m-85 -68.13 174.56 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.909 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 77' ' ' THR . 1.4 m-20 -86.97 -34.56 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 63.34 110.843 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.984 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 tt -141.28 131.3 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.712 ' O ' HD22 ' A' ' 51' ' ' LEU . 23.3 t -112.6 148.65 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 41.31 111.12 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 50' ' ' VAL . 2.6 mm? -135.87 113.1 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 43.55 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.836 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -116.34 153.39 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.145 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.852 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.767 0.318 . . . . 73.25 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -51.82 -29.74 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.842 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -49.19 -32.95 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 62.24 110.92 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 68' ' ' LEU . 54.1 mt -50.01 -36.93 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.158 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -42.55 85.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.115 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.44 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 52.04 111.105 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' HD23 ' A' ' 64' ' ' LEU . 7.7 mt -78.51 -34.53 47.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.893 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 65.31 110.85 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -56.19 -35.47 67.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.01 110.894 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.68 151.14 43.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.942 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.4 p -95.35 35.68 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.4 -32.28 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 35.33 111.065 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.85 -24.35 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.36 -38.93 20.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 73.33 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.89 -35.27 59.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 70.22 110.862 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 48' ' ' ASP . 85.9 m -57.94 126.34 76.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 60.31 111.126 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.717 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.4 Cg_endo -69.71 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 74.21 112.37 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 44.3 mm -103.18 127.57 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.143 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.984 HD23 HD21 ' A' ' 49' ' ' LEU . 1.6 mm? -122.85 114.0 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.906 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.836 HG23 HG23 ' A' ' 52' ' ' THR . 14.4 p -104.58 146.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 65.42 111.145 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.82 151.53 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 103' ' ' ILE . 10.2 t -136.46 161.69 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.149 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.3 p -104.25 -45.05 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.203 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -74.48 -62.32 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 62.35 110.897 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.07 33.4 8.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.05 112.496 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.88 157.38 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 64.43 110.905 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.8 -36.1 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 63.21 110.882 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.04 84.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.89 -37.39 76.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.877 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -52.03 -35.84 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.896 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 72.34 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -57.24 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.3 111.097 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -49.65 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.14 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -66.01 -35.62 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.887 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.81 -44.2 94.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.22 110.869 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.29 84.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 70.24 111.08 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.16 35.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 51.22 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.71 142.25 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 71.43 111.123 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.8 m -69.77 -67.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.172 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.0 170.76 21.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 63.23 112.489 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.591 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.66 166.53 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 73.12 110.898 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -143.76 167.22 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.51 111.101 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.2 128.72 55.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 65.55 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -74.96 160.5 80.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 71.52 110.882 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.8 176.87 30.98 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 -1.799 . . . . 62.55 112.335 -0.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.0 mm -110.6 140.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 61.04 111.153 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.58 156.13 35.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 72.25 110.858 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.3 Cg_endo -69.81 -31.03 21.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 71.33 112.308 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.22 -37.22 49.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.43 112.468 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.41 -46.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 71.44 111.142 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.677 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.9 tm? -56.07 -51.92 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 45.21 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.602 ' CG2' HG22 ' A' ' 21' ' ' THR . 84.2 t -63.4 -52.27 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 61.33 111.103 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.78 -36.06 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.8 -35.41 79.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 61.44 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.668 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.3 t -84.6 -35.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 53.43 111.128 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.73 -54.22 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.1 -34.61 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.114 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.717 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.4 mt -79.55 -35.82 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 54.45 110.967 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 61.34 110.855 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 71.23 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mm -59.18 116.21 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.21 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.564 ' HD2' HG23 ' A' ' 4' ' ' THR . 2.6 tmt_? -102.71 -48.23 4.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.564 HG23 ' HD2' ' A' ' 3' ' ' ARG . 66.8 p -140.76 164.99 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 63.43 111.151 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.5 mt -142.04 143.57 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 71.02 111.108 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -123.53 137.19 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.916 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.544 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -137.6 147.7 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 71.24 111.079 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -140.9 128.48 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.093 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.17 161.83 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.893 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.15 -42.34 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 71.04 110.839 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 m -69.38 113.69 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.87 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.41 47.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.109 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -55.42 -49.7 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 44.55 111.139 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ttm -66.05 -46.91 76.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.829 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' O ' HG11 ' A' ' 31' ' ' VAL . 26.3 mtm180 -52.19 -38.11 56.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.904 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.7 -43.5 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 54.21 111.129 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -54.73 -62.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.868 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 112' ' ' LEU . 85.3 mt -57.38 -35.35 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.35 110.969 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -65.43 -39.1 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.823 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -47.66 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 41.12 111.072 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.497 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.5 m -51.2 -40.21 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 71.33 111.161 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD22 ' CD1' ' A' ' 5' ' ' ILE . 34.0 mt -82.91 -35.26 26.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.948 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.11 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 44.21 111.092 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -55.73 -37.48 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.66 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.08 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.31 -31.52 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 65.01 112.465 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -50.43 153.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 73.23 110.903 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.01 77.51 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 61.43 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.9 p -85.36 140.18 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 55.22 111.158 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -140.84 131.96 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.415 HG11 ' O ' ' A' ' 15' ' ' ARG . 33.1 m -96.89 138.81 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 64.52 111.157 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.11 -176.74 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.14 111.094 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.11 -35.54 16.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.096 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' HG21 ' A' ' 8' ' ' ILE . 16.4 m-20 -155.59 164.97 37.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.853 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.527 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.33 -32.79 37.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 74.11 112.509 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.02 -48.21 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 72.14 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -35.14 72.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 50.44 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.39 -46.42 12.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 62.13 112.523 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.76 -47.68 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 73.43 110.859 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -52.15 -37.56 54.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.02 -34.7 24.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.17 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' HD11 ' A' ' 68' ' ' LEU . . . -84.92 -29.31 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.3 111.098 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 -27.8 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 70.43 111.158 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.43 -35.79 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.02 76.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 42.23 111.105 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.723 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 58.6 m-85 -76.94 173.99 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.94 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -35.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 63.04 110.904 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.795 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -142.78 121.91 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.917 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.437 ' HB ' HD12 ' A' ' 79' ' ' ILE . 22.0 t -113.72 149.52 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.41 111.149 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -137.8 110.21 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.933 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 81' ' ' VAL . 15.2 t -109.23 162.66 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.41 111.161 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 71.42 110.873 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.789 0.328 . . . . 75.51 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.22 -31.38 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -32.35 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.4 mt -50.31 -35.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.166 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.62 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.22 111.061 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.57 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.112 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 43' ' ' ALA . 11.0 mp -78.75 -34.71 45.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.91 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 10.6 tpt180 -61.16 -51.31 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.01 110.838 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.07 -35.23 66.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 65.33 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.11 151.81 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 50.3 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -95.56 35.52 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.4 110.874 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.63 -32.25 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 75.12 111.094 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.07 -27.45 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.933 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -47.65 -35.74 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 25.34 111.115 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -85.01 -34.04 22.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.6 m -53.2 133.54 51.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.586 0.707 . . . . 55.42 111.122 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.736 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.1 Cg_endo -69.72 108.19 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 61.51 112.367 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.437 HD12 ' HB ' ' A' ' 50' ' ' VAL . 48.0 mm -111.24 126.43 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.133 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.795 HD23 HD21 ' A' ' 49' ' ' LEU . 2.6 mm? -118.28 120.79 38.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 64.32 110.908 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.674 HG23 HG23 ' A' ' 52' ' ' THR . 8.1 p -104.69 137.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.03 111.115 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.655 HD23 HG13 ' A' ' 103' ' ' ILE . 10.3 mt -83.71 147.6 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 54.12 110.904 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 103' ' ' ILE . 5.8 t -132.87 162.53 31.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.33 111.179 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.8 p -112.7 -37.07 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 61.35 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -72.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.875 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.69 33.32 4.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 73.41 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -117.4 179.9 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 64.13 110.862 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -72.36 -36.27 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 75.42 110.833 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.04 -37.59 54.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.32 111.132 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -73.3 -40.39 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.25 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -52.8 -36.31 58.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.9 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.76 81.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 53.23 111.098 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.23 111.099 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.077 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -64.53 -35.78 82.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.1 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.46 -40.16 96.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 61.14 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.3 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.12 111.112 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.06 33.62 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 61.4 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.06 135.58 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 71.51 111.115 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.0 m -52.84 -69.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 51.1 111.165 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.43 -179.12 16.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 75.02 112.535 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.03 165.46 25.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.695 0.283 . . . . 74.34 110.978 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pt -150.36 165.87 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 74.22 111.137 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.51 108.44 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -73.72 159.86 83.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 71.42 110.911 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.73 170.41 58.48 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 -1.783 . . . . 72.24 112.398 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.6 mm -114.24 139.35 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.25 111.127 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.08 158.05 65.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 74.13 110.842 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.434 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.5 Cg_endo -69.82 -32.78 17.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 54.34 112.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.23 -33.4 61.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 73.22 112.485 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.72 -44.26 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 65.4 111.159 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' ' 18' ' ' LEU . 3.1 tm? -58.29 -60.17 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.2 110.936 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.497 ' CG2' HG22 ' A' ' 21' ' ' THR . 94.6 t -53.95 -35.77 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.134 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -71.11 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.98 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 34.01 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.626 HG23 HD12 ' A' ' 49' ' ' LEU . 10.3 p -84.27 -34.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.118 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.35 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.04 111.11 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.82 -35.38 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.12 111.155 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.736 HD13 ' HG3' ' A' ' 78' ' ' PRO . 10.0 mt -77.04 -42.3 39.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 60.21 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.889 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 75.42 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.99 105.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.54 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.68 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -85.64 -60.43 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.87 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 3' ' ' ARG . 43.5 p -137.44 168.61 19.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.112 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.533 ' CD1' HD22 ' A' ' 22' ' ' LEU . 63.4 mt -139.51 145.12 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.163 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.879 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -126.75 134.54 50.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.932 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.636 ' HB1' ' NH1' ' A' ' 15' ' ' ARG . . . -133.95 144.28 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.04 111.101 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.879 HD11 HD12 ' A' ' 6' ' ' LEU . 4.0 mp -140.61 129.24 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 60.21 111.152 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -163.33 171.96 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.865 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -89.01 -53.11 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 63.44 110.839 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -62.96 104.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.2 110.879 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -37.25 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.108 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -60.41 -35.23 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.135 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.411 ' HE1' ' HB3' ' A' ' 106' ' ' PRO . 25.3 tpp -66.16 -56.69 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 44.43 110.887 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.636 ' NH1' ' HB1' ' A' ' 7' ' ' ALA . 4.7 mmp_? -60.89 -33.36 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.836 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.16 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.2 tm? -71.74 -35.09 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 72.4 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.598 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.938 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -62.01 -35.99 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.838 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.18 -42.63 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.092 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.2 m -55.55 -59.06 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 75.11 111.12 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 5' ' ' ILE . 17.6 mt -63.12 -35.82 81.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 34.11 110.931 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.78 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 63.42 111.08 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -58.28 -33.38 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.936 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -20.67 65.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 64.22 111.073 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.51 -32.96 5.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 64.04 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -51.67 154.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 75.15 110.911 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.519 ' HB3' HG22 ' A' ' 4' ' ' THR . 5.4 tp10 -98.57 81.57 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 74.14 110.857 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.37 143.68 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.114 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -134.36 154.92 51.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.169 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.17 138.76 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 63.24 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -179.8 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.36 -35.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.41 111.092 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -145.4 155.67 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 65.22 110.83 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.676 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.22 -32.89 37.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 31.23 112.485 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -71.16 -50.07 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 63.22 110.902 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.03 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 64.34 111.118 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.67 -44.56 12.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 75.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' HB3' HD12 ' A' ' 64' ' ' LEU . 3.2 m-85 -65.83 -46.47 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 61.13 110.91 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.43 -35.86 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.64 -34.73 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 60.13 110.935 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.57 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 72.35 111.102 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -85.68 -28.11 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 44.1 111.12 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.66 -27.3 27.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 61.23 111.143 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -103.21 -36.05 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 51.14 111.129 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.09 67.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 64.25 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.751 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 70.9 m-85 -67.37 169.19 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.916 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 77' ' ' THR . 1.4 t70 -82.36 -34.31 28.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 62.23 110.877 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.852 HD21 HD23 ' A' ' 80' ' ' LEU . 1.1 tt -141.98 125.99 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.908 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.692 ' O ' HD22 ' A' ' 51' ' ' LEU . 21.5 t -115.91 150.48 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.1 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 50' ' ' VAL . 4.1 mm? -131.47 118.61 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.898 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 t -126.68 162.59 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.21 111.13 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.823 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.821 0.343 . . . . 73.2 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.88 -31.15 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.891 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 39' ' ' PHE . 94.6 mt -49.99 -33.09 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 68' ' ' LEU . 69.0 mt -50.4 -38.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.1 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.114 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.82 -33.92 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.42 111.088 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.1 mt -75.7 -34.55 60.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 54.25 110.913 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.12 -51.08 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.92 -35.02 66.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.902 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.18 153.84 42.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.5 34.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 62.41 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.76 -32.26 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.13 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.29 -25.06 9.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.53 110.891 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.12 -35.7 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.44 -35.24 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 65.12 110.877 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 48' ' ' ASP . 98.4 m -52.78 125.92 39.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 64.41 111.124 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.806 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.5 Cg_endo -69.76 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 64.23 112.34 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' HD13 ' A' ' 80' ' ' LEU . 42.0 mm -100.11 132.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 71.42 111.121 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 49' ' ' LEU . 1.7 mm? -123.41 121.64 36.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.874 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.38 139.0 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 63.03 111.13 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 105' ' ' LYS . 5.5 mp -84.19 137.8 33.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 64.32 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 103' ' ' ILE . 8.1 t -125.51 163.85 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 52.41 111.16 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 t -119.5 -34.9 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.125 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.89 -70.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.37 5.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 72.14 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -109.47 -176.76 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 41.03 110.884 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -79.73 -38.09 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.87 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.51 70.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.1 111.104 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.0 -42.22 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -55.45 -36.03 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 54.31 110.877 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.8 71.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.092 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -61.42 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 71.21 111.069 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.68 -44.94 66.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 42.13 111.091 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -67.03 -35.58 80.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 73.13 110.846 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.09 -41.61 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.901 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.07 -37.31 72.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.142 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.72 34.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.85 136.58 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.4 111.12 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.1 m -53.92 -70.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 64.5 111.128 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.25 -178.87 16.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 53.21 112.52 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.26 165.32 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 74.1 110.897 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.725 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pp -149.88 170.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 64.51 111.118 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -102.99 133.94 47.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.886 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.69 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -99.36 158.39 32.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.537 0.684 . . . . 63.12 110.898 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.78 175.65 35.76 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 -1.803 . . . . 62.13 112.345 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.59 137.98 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.12 111.133 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 157.2 79.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 71.52 110.906 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.534 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.77 -36.01 11.55 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.703 2.268 . . . . 73.34 112.3 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.05 -40.31 51.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 34.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.36 -47.88 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 74.54 111.154 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.69 -47.06 67.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 71.11 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 109' ' ' PRO . 95.2 t -65.73 -35.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.12 111.171 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.831 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.4 ' O ' HG22 ' A' ' 118' ' ' THR . 59.9 mt -61.94 -35.1 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 61.51 110.909 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.72 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.6 t -84.29 -35.87 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.125 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.22 -53.3 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 30.04 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 115' ' ' LEU . 11.4 t -51.5 -33.3 31.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.118 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.806 HD13 ' HG3' ' A' ' 78' ' ' PRO . 8.6 mt -81.52 -35.75 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.55 110.954 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.826 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 71.43 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.76 101.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 54.23 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -85.69 -38.43 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 70.21 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 p -150.73 177.39 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.151 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.643 ' CD1' HD22 ' A' ' 22' ' ' LEU . 57.6 mt -147.21 145.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 61.03 111.114 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.801 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -128.52 128.42 44.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.942 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.556 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -132.97 139.9 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.32 111.087 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.801 HD11 HD12 ' A' ' 6' ' ' LEU . 3.3 mp -138.04 137.12 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.187 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -163.1 169.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.865 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -108.73 43.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 64.45 110.873 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -151.23 111.18 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.898 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.64 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 60.22 111.102 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 m -64.18 -52.16 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.31 111.159 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 ttp -65.28 -47.69 75.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.02 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.18 -36.55 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.911 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.75 17.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.53 111.119 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.495 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -56.72 -62.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.31 110.905 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.465 HD21 ' HB ' ' A' ' 107' ' ' ILE . 61.6 mt -55.75 -51.65 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.45 110.943 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.795 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.12 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.131 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.598 HG21 ' HA ' ' A' ' 109' ' ' PRO . 7.2 m -50.71 -42.03 56.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 52.1 111.149 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.643 HD22 ' CD1' ' A' ' 5' ' ' ILE . 7.7 mt -84.7 -35.0 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 73.13 110.913 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.65 54.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.077 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.85 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.913 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -21.05 66.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 60.14 111.081 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.35 -32.04 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 53.11 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -49.9 153.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 72.53 110.924 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 22' ' ' LEU . 3.5 t -96.19 158.57 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.168 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' HD22 ' A' ' 6' ' ' LEU . 95.0 m -143.26 110.6 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.53 111.185 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -95.8 138.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.137 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.4 -175.96 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.105 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.81 -35.61 26.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.66 169.18 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.808 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.781 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -61.95 -32.55 82.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.479 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -68.21 -44.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 54.14 110.869 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.06 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.135 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.45 -47.38 22.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 74.21 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 2.1 m-85 -64.89 -41.79 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 73.13 110.831 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.18 -38.29 73.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.44 -33.96 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 61.53 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.36 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.13 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.03 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 -27.5 26.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -102.69 -36.27 8.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 41.41 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 88.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 54.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 46.0 m-85 -90.64 175.94 6.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.867 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 -35.08 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.607 HD12 HG23 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -135.98 127.77 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.873 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.556 ' O ' HD13 ' A' ' 51' ' ' LEU . 21.8 t -120.58 138.37 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 53.33 111.12 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.0 mm? -123.53 110.25 14.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 51.44 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.635 HG23 HG23 ' A' ' 81' ' ' VAL . 3.8 t -112.54 141.4 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.131 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.871 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 73.43 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -51.46 -30.72 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.52 110.866 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.1 mt -50.54 -34.15 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.941 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 ' CZ ' ' A' ' 39' ' ' PHE . 75.9 mt -50.06 -40.72 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.55 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 35.02 111.115 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.41 -33.13 55.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 54.34 111.089 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 74' ' ' TYR . 10.9 mp -77.64 -33.69 53.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 74.3 110.904 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.4 ttt85 -62.35 -51.64 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.886 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.05 -34.76 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 61.5 110.908 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.37 152.88 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.23 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 t -95.12 35.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.51 110.807 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.74 -32.31 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 62.33 111.085 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.577 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.0 m-85 -111.7 -26.02 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.925 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -47.93 -35.44 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.095 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -34.36 24.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 75.51 110.878 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.432 HG23 ' HD2' ' A' ' 78' ' ' PRO . 84.8 m -57.11 133.42 80.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.7 . . . . 63.43 111.155 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 77' ' ' THR . 53.7 Cg_endo -69.73 114.92 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 52.32 112.318 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.51 116.41 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 73.12 111.088 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -107.15 117.26 33.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.671 HG11 ' CB ' ' A' ' 94' ' ' ALA . 11.0 p -104.53 133.39 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 62.32 111.145 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.659 HD23 ' CB ' ' A' ' 105' ' ' LYS . 6.1 mp -83.85 142.97 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.886 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.711 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 7.3 t -127.27 163.97 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 55.3 111.092 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 t -118.27 -34.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.3 111.167 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.5 -47.45 22.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 52.08 13.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.505 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 t -124.16 153.18 41.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 64.24 110.89 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -53.73 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.845 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.7 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 41.03 111.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.07 -36.19 80.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -63.52 -37.01 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.1 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.118 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.42 -61.6 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.24 111.094 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.671 ' CB ' HG11 ' A' ' 81' ' ' VAL . . . -52.32 -45.38 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.1 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -66.82 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.909 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 70.3 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.32 81.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 54.34 111.07 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.86 46.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.719 . . . . 61.03 112.51 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.21 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 63.42 111.088 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.8 m -89.88 -54.18 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.32 111.131 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -137.72 174.36 21.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 52.5 112.509 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.711 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.38 165.44 26.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 70.22 110.904 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 83' ' ' THR . 0.6 OUTLIER -150.53 169.78 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 62.44 111.1 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.32 125.37 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.659 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -89.24 157.7 47.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 63.23 110.901 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.82 176.01 34.49 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.656 -1.81 . . . . 71.32 112.354 -0.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.465 ' HB ' HD21 ' A' ' 18' ' ' LEU . 46.6 mm -104.26 142.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 62.33 111.15 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 158.67 48.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 71.24 110.836 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.598 ' HA ' HG21 ' A' ' 21' ' ' THR . 54.0 Cg_endo -69.75 -35.96 11.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.219 . . . . 75.0 112.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.3 -32.83 33.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 53.44 112.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.4 t -74.94 -33.29 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 62.33 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.98 -35.4 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.896 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.536 ' CG2' HG22 ' A' ' 21' ' ' THR . 94.0 t -79.72 -39.21 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.079 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.73 -32.84 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.05 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 118' ' ' THR . 17.6 mt -71.28 -37.83 71.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 53.44 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 22' ' ' LEU . 12.1 p -82.55 -33.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 70.42 111.135 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.97 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 62.24 111.15 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' LEU . 12.7 t -51.67 -32.69 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 51.23 111.149 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' HG3' ' A' ' 78' ' ' PRO . 32.1 mt -75.15 -35.91 61.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 71.52 110.905 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.865 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.715 0.293 . . . . 74.13 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.27 101.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 51.41 111.109 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -95.73 -57.37 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 62.41 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.9 p -124.27 160.16 28.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.146 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.625 ' CD1' HD22 ' A' ' 22' ' ' LEU . 75.0 mt -145.11 138.16 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -118.78 137.78 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 54.24 110.93 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -138.2 153.66 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.061 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.768 HG21 ' HA2' ' A' ' 35' ' ' GLY . 5.0 mp -141.11 122.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.133 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -153.42 160.58 42.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.886 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.11 -36.74 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 t -67.65 113.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 25.41 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.97 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.12 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.2 m -63.01 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 35.11 111.148 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.9 tpp -73.2 -37.98 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.867 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -64.37 -36.47 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.91 -48.39 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.23 111.103 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -53.13 -61.48 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 42.24 110.945 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.698 HD22 HD22 ' A' ' 112' ' ' LEU . 76.6 mt -55.26 -49.66 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.927 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -54.75 -35.86 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.909 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -39.97 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 60.35 111.147 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -51.67 -59.65 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.096 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.625 HD22 ' CD1' ' A' ' 5' ' ' ILE . 31.3 mt -67.39 -35.82 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 62.34 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -52.62 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.24 111.132 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.65 -34.5 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.923 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.6 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 44.55 111.13 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.63 -33.41 5.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 74.14 112.455 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -53.4 154.18 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.343 . . . . 73.13 110.92 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -98.23 88.2 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 22' ' ' LEU . 4.0 p -95.65 139.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 72.45 111.092 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -132.01 131.39 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -96.43 138.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 64.55 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.71 178.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 75.01 111.063 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.39 13.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 65.43 111.111 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.36 148.96 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 65.25 110.904 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.768 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.18 -32.15 35.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 52.3 112.505 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.06 -47.66 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 73.31 110.887 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.16 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -50.03 48.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 71.41 112.473 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CE1' HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -67.39 -47.39 70.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 72.33 110.92 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.69 -35.69 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.34 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.92 -27.93 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.931 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.21 111.119 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.69 -29.56 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 -26.94 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 71.51 111.113 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -104.69 -34.83 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.116 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.99 86.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.41 111.053 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.734 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 29.7 m-85 -88.02 -179.87 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.937 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -87.93 -32.78 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.913 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 tt -143.78 127.29 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.902 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.648 ' O ' HD22 ' A' ' 51' ' ' LEU . 26.2 t -112.6 148.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.152 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.7 mm? -135.73 114.01 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.94 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 82' ' ' LEU . 6.3 t -130.86 144.58 51.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.153 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.469 ' OD1' HD13 ' A' ' 82' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 64.43 110.858 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.739 0.304 . . . . 74.3 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.41 -26.72 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.85 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -49.79 -30.1 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 41.44 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.455 ' HB ' ' HB1' ' A' ' 97' ' ' ALA . 49.9 mt -47.99 -35.54 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.52 111.09 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.19 77.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 43.52 111.098 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.19 -36.06 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 52.33 111.095 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 39' ' ' PHE . 8.3 mp -73.15 -35.27 66.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 65.22 110.908 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.86 -51.03 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.05 -35.22 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.887 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.85 153.77 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -95.79 33.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.83 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.99 -32.3 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.31 111.085 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -111.87 -22.63 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.35 110.934 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.11 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 62.5 111.05 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.54 -34.84 46.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 48' ' ' ASP . 30.0 m -59.56 133.06 88.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.571 0.7 . . . . 73.33 111.159 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 136.66 33.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.691 2.261 . . . . 71.35 112.367 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 38.9 mm -128.72 128.68 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 71.23 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -123.92 118.57 27.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.41 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 102' ' ' TRP . 13.6 p -103.88 134.07 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.088 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.471 HD22 ' HE2' ' A' ' 105' ' ' LYS . 0.7 OUTLIER -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 72.54 110.91 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.71 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 10.1 t -152.45 162.17 41.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.158 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t -103.88 -34.73 8.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 71.32 111.147 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.59 118.92 37.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.943 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.24 55.17 4.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 73.55 112.512 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 142.05 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 71.54 110.847 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.15 -36.52 82.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.866 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.37 93.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 62.01 111.093 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.02 -38.22 85.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.21 110.925 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -52.07 -36.69 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 73.1 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.69 -35.14 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 61.12 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -61.25 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 73.12 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.47 -44.69 62.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 43.34 111.065 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -69.24 -35.73 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.94 -41.77 92.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 73.2 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 65' ' ' ILE . . . -66.1 -36.51 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.15 38.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 73.14 112.459 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.84 139.02 35.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.381 . . . . 72.52 111.068 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -51.58 -64.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 44.4 111.131 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.87 174.89 30.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 74.4 112.524 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.71 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.33 164.85 28.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.801 0.334 . . . . 75.02 110.93 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 pp -144.13 160.29 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 50.4 111.096 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.68 129.45 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 52.43 110.871 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.74 160.02 83.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 51.02 110.893 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.78 161.82 85.46 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 -1.805 . . . . 74.04 112.349 -0.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.6 mm -113.05 137.4 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.44 111.15 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.67 152.07 59.41 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 74.04 110.896 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.54 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.79 -34.75 13.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 53.31 112.325 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.82 -38.07 60.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 34.31 112.511 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.18 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 65.53 111.124 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.698 HD22 HD22 ' A' ' 18' ' ' LEU . 9.0 tp -51.5 -38.29 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.877 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.555 ' CG2' HG22 ' A' ' 21' ' ' THR . 96.3 t -75.98 -28.68 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 62.42 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -69.27 -45.43 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.86 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.32 -38.84 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.533 HG23 HD12 ' A' ' 49' ' ' LEU . 11.4 p -84.48 -32.57 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.34 111.089 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.5 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 44.25 111.09 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.0 t -50.65 -32.67 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.51 111.157 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.53 -35.53 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.931 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 62.35 110.885 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.722 0.296 . . . . 72.43 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.538 HG23 ' CB ' ' A' ' 48' ' ' ASP . 89.0 mt -51.56 146.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 73.55 111.105 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -122.54 -35.64 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.2 p -143.43 157.45 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.132 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.9 mt -145.3 148.31 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 47' ' ' TYR . 1.3 tt -132.74 135.11 45.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.925 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.547 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -133.36 156.62 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.032 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.502 HG21 ' N ' ' A' ' 35' ' ' GLY . 3.8 mp -140.59 108.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 71.34 111.141 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.36 168.71 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.27 -58.22 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 63.54 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -54.46 128.7 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 54.14 110.87 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.1 111.115 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -62.69 -38.99 92.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.23 111.155 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.67 -47.99 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 52.52 110.894 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -52.01 -37.14 52.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.97 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.076 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -54.07 -62.16 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 112' ' ' LEU . 27.0 mt -58.11 -35.83 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.895 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -64.63 -36.15 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.868 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.5 -37.67 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 41.32 111.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.616 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -51.84 -61.39 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.153 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD21 HG11 ' A' ' 116' ' ' VAL . 13.6 mt -66.74 -36.58 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.97 -52.86 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 31.42 111.109 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.12 -34.45 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.917 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.86 -20.58 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 63.14 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.39 -33.54 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 62.41 112.452 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -54.28 153.86 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 74.15 110.882 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -96.64 78.21 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.41 110.926 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.36 136.31 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 73.51 111.133 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.7 m -133.22 144.43 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 54.23 111.14 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 m -111.23 139.51 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.88 -175.97 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 63.34 111.105 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -44.32 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.085 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' C ' HG21 ' A' ' 8' ' ' ILE . 6.2 m-20 -149.81 177.49 9.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 64.55 110.899 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -58.24 -33.04 68.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 24.54 112.513 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.2 -48.16 30.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 74.14 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.75 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.09 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.68 -51.41 6.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 55.34 112.521 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CE2' HD13 ' A' ' 62' ' ' LEU . 2.8 m-85 -62.27 -41.44 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 65.02 110.861 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.21 -44.36 83.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.8 -35.06 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 60.31 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.24 37.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 53.04 111.058 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.93 -29.55 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 54.13 111.122 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.56 -27.78 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 52.45 111.126 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -101.43 -35.19 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.05 111.133 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.13 84.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.35 111.097 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.611 ' CE1' HD12 ' A' ' 6' ' ' LEU . 59.3 m-85 -86.12 169.78 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.927 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -81.04 -35.35 31.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.879 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.893 HD12 HG23 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -139.3 137.28 35.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 62.3 110.947 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 51' ' ' LEU . 76.5 t -124.39 139.63 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.42 111.137 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.0 mm? -124.51 109.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.946 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.717 HG23 HG23 ' A' ' 81' ' ' VAL . 6.9 t -120.57 162.55 19.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.125 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.876 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 39' ' ' PHE . 4.0 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.775 0.322 . . . . 74.14 110.927 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.71 -30.19 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 62.25 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -49.47 -33.91 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.88 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.5 mt -49.96 -40.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 71.32 111.16 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.6 81.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 54.03 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.69 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.082 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 74' ' ' TYR . 10.3 mp -79.81 -34.99 39.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 44.4 110.912 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.4 ttt180 -65.72 -48.37 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.882 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.79 -34.52 65.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.03 156.98 38.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.45 35.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.41 -32.32 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 70.02 111.128 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.8 m-85 -111.14 -24.73 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 73.25 110.929 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -48.28 -38.34 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 54.21 111.078 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.92 -35.26 57.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 48' ' ' ASP . 78.3 m -53.86 125.61 47.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.588 0.709 . . . . 73.13 111.128 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.509 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.7 Cg_endo -69.75 91.0 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.698 2.265 . . . . 72.53 112.373 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.8 mm -81.35 136.2 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 79' ' ' ILE . 25.0 mt -128.68 115.06 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.931 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.717 HG23 HG23 ' A' ' 52' ' ' THR . 11.2 p -107.55 147.72 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 72.14 111.085 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 105' ' ' LYS . 5.2 mp -96.59 151.12 19.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.943 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.602 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 13.9 t -134.97 165.37 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.164 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.526 HG22 ' NZ ' ' A' ' 105' ' ' LYS . 70.5 p -96.66 -51.11 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 73.14 111.135 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -104.83 136.67 43.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.12 4.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 62.43 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -99.72 146.02 27.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 55.31 110.893 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.43 -36.44 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.85 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.08 -35.92 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 64.43 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.75 -37.48 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.903 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -51.95 -35.73 47.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 62.23 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.23 74.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 52.42 111.103 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.2 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.066 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.82 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 61.04 111.037 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -75.43 -35.85 60.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.79 -37.41 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 61.44 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.7 81.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.53 111.083 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.18 33.48 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 64.32 112.477 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.43 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 42.34 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -90.11 -59.34 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 65.52 111.113 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.93 169.96 23.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 53.23 112.474 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.602 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.52 164.3 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 75.13 110.949 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.08 169.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 64.23 111.137 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.46 115.33 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.526 ' NZ ' HG22 ' A' ' 84' ' ' THR . 3.9 pttm -77.52 157.57 79.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 52.23 110.922 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 175.69 35.55 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 -1.8 . . . . 71.45 112.328 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.425 ' CG1' HD21 ' A' ' 82' ' ' LEU . 28.9 mm -114.28 148.14 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 71.3 111.141 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.93 159.2 34.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 65.42 110.859 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.77 -33.03 17.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 74.12 112.39 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.95 -33.37 41.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 73.14 112.517 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 115' ' ' LEU . 92.1 t -79.77 -31.25 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.04 111.109 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.697 ' CD1' HD22 ' A' ' 18' ' ' LEU . 7.1 tt -72.0 -33.62 68.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 70.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.616 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.5 t -79.88 -43.2 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 61.43 111.161 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -32.18 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.846 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.408 HD12 HG12 ' A' ' 111' ' ' VAL . 15.9 mt -69.04 -39.27 79.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.933 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.893 HG23 HD12 ' A' ' 49' ' ' LEU . 9.8 p -82.14 -33.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.162 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.05 -55.21 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.096 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.7 -35.5 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.105 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 78' ' ' PRO . 28.5 mt -73.19 -39.41 65.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 50.55 110.967 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 61.45 110.832 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.707 0.289 . . . . 73.22 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.35 106.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 45.42 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -93.97 -50.39 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.856 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.26 166.34 24.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 72.04 111.113 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 49' ' ' LEU . 42.3 mt -145.44 149.19 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.04 111.138 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 30' ' ' THR . 29.3 tp -132.03 130.94 42.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.48 119.09 23.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.21 111.069 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.744 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.6 mp -109.69 108.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 63.2 111.152 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.97 171.97 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 62.12 110.837 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -104.41 -40.12 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -71.93 118.61 15.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.885 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.95 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.13 111.104 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -64.21 -44.56 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 71.05 111.159 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -65.89 -50.11 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.909 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -51.88 -35.93 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.882 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.24 -37.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.53 111.122 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.97 -61.03 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.643 HD22 HD13 ' A' ' 112' ' ' LEU . 17.2 mt -59.97 -35.59 75.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.939 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -66.7 -39.07 87.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.88 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.061 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.527 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.2 m -51.46 -39.01 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 71.34 111.142 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.628 ' HB2' HG11 ' A' ' 29' ' ' VAL . 45.3 mt -83.68 -36.89 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.92 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.6 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.31 111.089 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -57.8 -33.75 68.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 63.13 110.946 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -20.82 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.076 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.63 -31.88 6.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 72.31 112.506 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.51 154.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 72.23 110.949 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.58 76.22 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 63.2 110.905 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.628 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.7 p -88.12 143.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 62.44 111.135 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 6' ' ' LEU . 27.5 m -141.94 149.12 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 63.31 111.128 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.99 138.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 42.53 111.098 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.26 -178.27 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.148 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.88 -35.79 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 72.51 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -152.19 160.13 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.884 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.744 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.14 -32.63 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 74.1 112.511 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.42 -52.29 23.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 41.23 110.906 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.96 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 52.15 111.089 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.59 -49.35 44.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 51.01 112.533 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE2' HG21 ' A' ' 52' ' ' THR . 0.8 OUTLIER -66.96 -48.91 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 61.2 110.892 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -51.77 -40.91 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.9 -33.35 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -26.25 27.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 54.34 111.103 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.88 26.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.123 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.53 -27.62 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 75.54 111.158 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.1 m -102.85 -36.31 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.25 111.114 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.1 78.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.034 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.499 ' CZ ' HG21 ' A' ' 45' ' ' THR . 89.1 m-85 -82.6 166.85 18.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.428 . . . . 63.01 110.886 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -81.14 -34.87 32.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 74.13 110.894 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -143.49 123.41 13.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 62.2 110.921 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.53 145.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 65.25 111.111 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.97 110.73 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 62.52 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.455 HG21 ' CE2' ' A' ' 39' ' ' PHE . 6.5 t -115.87 162.73 16.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 64.25 111.148 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.906 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.747 0.308 . . . . 75.2 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -51.67 -32.56 30.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.85 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.02 -33.1 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 54.53 110.907 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.38 -40.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.21 111.138 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.81 -39.83 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 55.43 111.105 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.615 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -75.25 -35.23 61.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 71.13 111.046 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.98 -33.33 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -67.62 -46.54 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.96 -35.69 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 67' ' ' ALA . 3.3 mt -70.01 146.03 51.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 63.23 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.9 t -95.57 34.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.22 -33.02 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.02 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.53 -26.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.91 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.26 -38.3 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 64.15 111.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.72 -35.56 57.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 48' ' ' ASP . 99.2 m -52.29 126.38 36.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.541 0.686 . . . . 73.13 111.14 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.631 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.7 Cg_endo -69.77 89.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 63.04 112.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -83.08 114.68 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.13 111.149 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.73 123.41 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.21 110.875 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.38 141.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 64.24 111.122 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 83' ' ' THR . 0.3 OUTLIER -83.44 151.33 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 63.54 110.907 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 103' ' ' ILE . 11.4 t -149.45 162.36 40.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 51.41 111.11 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.5 p -122.61 -34.79 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 63.02 111.11 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.99 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.1 41.95 4.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 74.43 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 51.3 110.861 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.36 -35.47 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 71.44 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.04 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.118 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -38.04 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.851 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -51.78 -35.62 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 74.22 110.891 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.99 82.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.41 111.106 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.11 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.44 111.062 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.67 -50.09 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 61.3 111.039 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.878 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.06 -43.33 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.124 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.89 36.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 74.12 112.475 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.29 163.03 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 64.41 111.092 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -86.67 -63.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.105 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.02 13.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 53.05 112.5 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.641 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.75 168.96 18.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 74.12 110.907 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.727 ' O ' HG22 ' A' ' 83' ' ' THR . 0.5 OUTLIER -151.03 159.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.121 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -112.99 117.77 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.875 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 mptt -75.22 159.3 82.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 75.23 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 166.2 74.64 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.664 -1.807 . . . . 75.45 112.393 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.404 HD11 ' HB ' ' A' ' 103' ' ' ILE . 36.3 mm -108.8 138.72 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 61.32 111.13 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.0 156.1 42.59 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.625 0.726 . . . . 74.5 110.843 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.503 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.79 -33.74 15.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 72.22 112.323 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.26 -33.31 64.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 61.12 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.89 -42.26 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 72.44 111.109 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.643 HD13 HD22 ' A' ' 18' ' ' LEU . 7.3 tp -61.65 -37.27 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.908 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.527 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.1 t -80.03 -28.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.31 111.108 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.33 -43.79 63.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 61.45 110.914 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 49' ' ' LEU . 1.3 pp -62.3 -34.52 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 73.05 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.2 p -84.6 -34.13 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.153 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.3 -53.96 30.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.08 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -51.69 -34.87 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 51.55 111.165 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 78' ' ' PRO . 13.5 mt -74.48 -46.95 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.95 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 65.23 110.879 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 72.21 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.408 HD13 ' OD1' ' A' ' 48' ' ' ASP . 47.3 mm -62.44 105.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.52 111.113 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -94.55 -45.57 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.881 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -141.04 161.56 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.139 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.569 ' CD1' HD22 ' A' ' 22' ' ' LEU . 60.5 mt -142.17 144.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.111 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.766 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -123.39 131.21 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.946 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.611 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -130.91 152.4 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 63.24 111.089 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 6' ' ' LEU . 4.8 mp -140.72 121.02 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 55.1 111.112 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.61 171.66 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 75.2 110.848 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -110.2 -37.71 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -72.72 119.93 17.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.814 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -38.16 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.112 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.42 111.133 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.7 mmt -70.69 -46.44 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -58.71 -36.85 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.04 -46.26 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 64.23 111.079 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.2 tm? -56.33 -62.2 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 64.04 110.953 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.52 -46.84 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.896 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -57.55 -39.07 75.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 71.51 110.857 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -38.34 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 45.12 111.088 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.0 OUTLIER -53.77 -51.61 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.24 111.126 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 5' ' ' ILE . 20.2 mt -76.23 -36.94 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.66 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 54.43 111.041 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -55.64 -34.71 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.59 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 70.5 111.096 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.57 -35.78 4.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 55.21 112.53 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.98 154.82 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 73.12 110.914 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -98.32 86.56 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -97.24 143.63 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.145 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -134.31 141.1 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.83 139.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.098 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' A' ' 8' ' ' ILE . . . -97.41 179.88 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 64.42 111.097 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.0 -35.99 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 71.54 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.72 159.04 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.648 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.04 -32.75 35.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 74.15 112.487 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.26 -46.12 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.22 110.939 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.25 74.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.22 111.13 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.38 -51.27 13.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 62.13 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 3.6 m-85 -64.85 -49.76 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 74.14 110.861 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -52.13 -42.82 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -76.89 -34.66 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.75 -25.86 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.108 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.72 -28.87 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 62.11 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -27.93 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 51.43 111.152 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.49 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 4.6 m -101.47 -36.3 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.22 111.144 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.11 72.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 62.2 111.132 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.766 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 88.1 m-85 -74.42 172.79 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.935 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 77' ' ' THR . 0.7 OUTLIER -83.15 -35.16 25.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 71.52 110.842 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.921 HD21 HD23 ' A' ' 80' ' ' LEU . 1.6 tt -141.56 130.62 23.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.949 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.625 ' O ' HD22 ' A' ' 51' ' ' LEU . 23.5 t -111.45 148.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 63.41 111.15 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -139.62 119.6 13.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 64.31 110.937 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.909 HG23 HG23 ' A' ' 81' ' ' VAL . 3.0 t -126.09 151.18 47.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.13 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.858 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 72.24 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.708 ' OE2' HD22 ' A' ' 64' ' ' LEU . 1.9 pp20? -51.2 -31.36 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 64.4 110.836 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.708 HD22 ' OE2' ' A' ' 63' ' ' GLU . 2.7 mm? -50.46 -33.09 19.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 39' ' ' PHE . 47.0 mt -50.57 -35.09 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.43 111.113 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.0 -54.19 26.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.071 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -60.43 -33.68 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 63.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.84 -34.23 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.97 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -66.66 -43.38 84.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.89 -35.09 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 61.21 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 67' ' ' ALA . 3.1 mt -68.92 147.06 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 m -95.75 34.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.25 110.825 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.3 -32.75 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 50.21 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.77 -25.29 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.1 110.908 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.42 -38.52 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.33 111.129 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.99 -35.34 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 63.42 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP . 91.5 m -56.93 126.11 71.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.608 0.718 . . . . 72.42 111.184 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.723 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.2 Cg_endo -69.76 109.95 2.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 73.45 112.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.63 ' O ' HD13 ' A' ' 80' ' ' LEU . 48.7 mm -97.48 127.83 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.163 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.921 HD23 HD21 ' A' ' 49' ' ' LEU . 1.2 mm? -122.96 113.97 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.943 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 52' ' ' THR . 13.2 p -107.39 148.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 50.13 111.147 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 51' ' ' LEU . 5.7 mp -98.3 151.28 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 61.43 110.931 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.9 t -130.31 156.39 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.173 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.9 p -87.54 -36.36 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.172 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.91 144.3 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.29 55.25 5.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.514 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -91.94 144.91 24.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 73.53 110.911 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.87 -36.75 83.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 53.14 110.918 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.31 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.11 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.44 -41.2 89.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.841 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -51.88 -35.9 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.15 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.33 -61.23 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.09 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.62 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 63.45 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -67.91 -35.56 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.885 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.08 -44.13 97.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 41.45 110.883 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.43 84.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.066 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.7 42.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 53.13 112.516 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.84 143.95 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.03 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.1 m -73.58 -58.98 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.105 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.39 168.66 24.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 71.04 112.462 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.69 165.94 25.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 74.51 110.958 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.682 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.0 169.78 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 70.05 111.114 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.76 107.14 17.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 60.42 110.855 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.5 159.48 77.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 72.05 110.877 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 171.84 51.65 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.794 . . . . 65.31 112.366 -0.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.3 mm -116.03 144.37 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 65.4 111.152 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.98 157.94 38.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 64.44 110.889 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.1 Cg_endo -69.74 -32.79 17.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 60.45 112.351 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.97 60.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.472 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.43 -38.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 71.35 111.087 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 112' ' ' LEU . 3.1 tm? -63.29 -52.88 60.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 63.42 110.953 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.551 ' CG2' HG22 ' A' ' 21' ' ' THR . 97.6 t -60.48 -35.1 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.05 111.146 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.43 -35.89 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.841 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.28 -36.3 81.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.656 HG23 HD12 ' A' ' 49' ' ' LEU . 9.9 p -84.17 -34.68 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.108 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.23 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 43.33 111.077 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 t -51.54 -35.23 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.088 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.723 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.7 mt -79.29 -36.12 40.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.9 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.84 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.776 0.322 . . . . 65.14 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.487 HG13 HG12 ' A' ' 116' ' ' VAL . 44.9 mm -51.94 116.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 64.51 111.134 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.6 OUTLIER -102.06 -43.67 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.922 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.512 HG23 ' HD2' ' A' ' 3' ' ' ARG . 70.2 p -143.67 167.62 21.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.1 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.673 HD13 HD13 ' A' ' 22' ' ' LEU . 79.6 mt -142.19 144.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.095 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.698 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -126.91 131.62 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.937 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.608 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -139.56 148.82 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.139 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.727 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.4 mp -140.12 131.25 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 52.32 111.087 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -161.01 169.4 22.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 70.51 110.865 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.97 -49.74 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.888 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -54.14 104.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.881 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.86 65.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.053 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -61.67 -35.91 79.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.132 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.409 ' HE2' HD11 ' A' ' 18' ' ' LEU . 12.5 tpt -65.15 -55.1 20.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.908 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -52.71 -36.32 57.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.44 -39.08 85.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.116 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.64 -55.53 17.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.925 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.651 HD22 ' CD1' ' A' ' 112' ' ' LEU . 15.3 mt -60.81 -35.47 76.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.945 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.87 -42.18 77.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.831 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.73 -46.78 57.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.53 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 113' ' ' VAL . 25.2 m -50.99 -40.92 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.24 111.132 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 5' ' ' ILE . 15.8 mt -84.85 -34.86 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.946 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -51.02 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.24 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -55.08 -36.3 65.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -20.95 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 60.12 111.084 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.97 -31.24 6.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 51.23 112.495 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -50.64 152.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 63.32 110.941 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -103.0 92.8 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 22' ' ' LEU . 4.2 t -89.67 158.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 71.35 111.151 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.573 ' O ' HD22 ' A' ' 6' ' ' LEU . 92.6 m -146.68 109.8 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 62.44 111.172 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.48 138.59 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.114 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.47 -175.73 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.25 111.095 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -35.06 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.098 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -140.97 161.37 37.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.4 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.727 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -60.58 -32.85 79.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.484 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -69.3 -48.95 60.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 72.11 110.893 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.51 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.062 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.48 -43.89 23.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 43.13 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.5 -44.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 74.21 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -51.73 -35.46 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 54.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -84.55 -33.33 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.11 -26.18 26.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 53.22 111.071 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.93 -28.26 26.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 62.34 111.077 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.19 -27.88 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -101.86 -35.49 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 62.22 111.172 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.97 71.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 54.7 m-85 -68.87 176.06 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.937 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.433 ' OD1' HD13 ' A' ' 2' ' ' ILE . 0.8 OUTLIER -87.89 -34.32 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.868 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.832 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -142.89 123.96 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.922 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.625 ' HB ' HD12 ' A' ' 79' ' ' ILE . 41.3 t -113.31 147.64 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.101 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.54 ' CD2' HD11 ' A' ' 82' ' ' LEU . 3.1 tp -132.07 144.93 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 61.24 110.909 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.936 HG23 HG23 ' A' ' 81' ' ' VAL . 1.9 t -143.19 135.45 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 53.43 111.197 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.455 ' HB3' HD13 ' A' ' 82' ' ' LEU . 16.7 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.32 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.815 0.341 . . . . 74.23 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -51.63 -29.21 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.867 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -48.59 -34.65 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.613 ' HA ' HD12 ' A' ' 68' ' ' LEU . 81.1 mt -50.72 -42.83 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 62.41 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.95 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.23 111.113 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.14 73.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.22 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 65' ' ' ILE . 3.1 mt -78.46 -34.25 47.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 51.12 110.95 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -63.21 -50.63 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -56.0 -35.41 66.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.67 153.43 42.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 65.13 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.9 t -95.53 34.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 53.31 110.837 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.82 -31.91 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 44.52 111.069 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -112.38 -24.38 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.916 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.55 -36.4 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.6 -34.64 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.854 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.406 HG23 ' HD2' ' A' ' 78' ' ' PRO . 49.9 m -55.37 133.03 70.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.558 0.694 . . . . 70.32 111.111 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.742 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.8 Cg_endo -69.76 130.46 19.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 72.13 112.345 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' A' ' 50' ' ' VAL . 48.2 mm -129.87 125.79 61.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.17 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.832 HD23 HD21 ' A' ' 49' ' ' LEU . 2.9 mm? -117.82 120.58 38.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 65.5 110.93 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.936 HG23 HG23 ' A' ' 52' ' ' THR . 13.6 p -104.41 132.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.119 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 52' ' ' THR . 1.6 mp -84.36 151.98 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 71.34 110.938 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.748 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 9.9 t -146.09 156.56 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.126 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.5 p -109.47 -35.56 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.53 111.161 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.99 -74.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.54 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.63 40.68 3.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.506 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.57 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 72.42 110.852 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.1 -45.4 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.886 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.82 -38.04 54.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.12 111.108 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.65 -44.93 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.63 -35.92 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 71.11 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.05 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.52 111.081 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.34 -59.99 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 62.51 111.095 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.99 64.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.095 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -65.04 -35.24 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.846 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.881 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.35 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.125 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.24 33.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 55.24 112.507 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 134.49 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 63.22 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.5 m -53.93 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 74.24 111.169 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.97 -179.93 16.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 65.33 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.748 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.07 169.69 17.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 72.34 110.931 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.706 ' O ' HG22 ' A' ' 83' ' ' THR . 0.7 OUTLIER -149.8 162.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.14 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.38 136.18 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.648 ' CE ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -82.98 160.98 59.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 73.23 110.9 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.74 176.38 32.77 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 -1.809 . . . . 75.11 112.367 -0.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mm -112.89 138.02 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 55.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.82 154.6 39.81 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.642 0.734 . . . . 73.13 110.845 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.35 22.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 74.43 112.332 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -37.26 47.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 62.03 112.486 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.04 -46.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 74.13 111.108 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.651 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.9 tt -54.1 -55.65 25.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.949 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 21' ' ' THR . 85.8 t -61.09 -48.9 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.126 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -54.86 -39.92 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.26 -35.05 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.22 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.748 HG22 ' CD1' ' A' ' 49' ' ' LEU . 19.9 t -84.4 -35.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.4 -54.35 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.52 111.092 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.28 -34.58 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 71.11 111.135 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.742 HD13 ' HG3' ' A' ' 78' ' ' PRO . 12.8 mt -77.6 -35.91 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 24.43 110.881 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 ttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 64.41 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.07 113.74 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 72.15 111.123 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -89.7 -44.56 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.864 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.8 p -152.07 172.98 15.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.134 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.611 ' CD1' HD22 ' A' ' 22' ' ' LEU . 55.6 mt -142.75 148.73 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.129 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 HG13 ' A' ' 50' ' ' VAL . 11.0 tp -129.4 119.1 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 71.32 110.875 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -127.39 115.32 18.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.22 111.075 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.643 HG21 ' C ' ' A' ' 34' ' ' ASP . 3.6 mp -108.96 134.48 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.22 111.121 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -157.03 154.5 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 62.25 110.839 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.96 -42.39 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.832 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.67 112.69 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.874 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -35.57 44.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 35.34 111.107 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -64.91 -43.69 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 53.53 111.085 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 ttp -69.36 -49.66 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 62.4 110.89 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -51.87 -38.24 55.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.903 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.08 -44.2 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.066 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -52.41 -62.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 65.51 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.836 HD22 HD22 ' A' ' 112' ' ' LEU . 22.1 mt -58.84 -46.7 87.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.904 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -52.0 -43.85 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.843 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.22 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.098 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.522 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.2 m -51.13 -52.97 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.172 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.722 HD21 HG11 ' A' ' 116' ' ' VAL . 3.1 mt -78.4 -40.65 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -49.41 61.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 41.42 111.128 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -64.52 -32.49 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 62.24 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -20.85 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.4 -41.04 1.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 41.32 112.486 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' HD23 ' A' ' 22' ' ' LEU . 46.8 m-85 -51.87 154.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 73.34 110.899 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -104.6 104.43 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 40.33 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 22' ' ' LEU . 2.8 t -98.74 161.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 62.2 111.145 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -150.85 115.46 5.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.16 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 7' ' ' ALA . 17.3 m -95.35 138.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.42 111.158 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.12 -175.79 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 62.11 111.107 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.28 -35.09 59.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.096 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.643 ' C ' HG21 ' A' ' 8' ' ' ILE . 10.4 t70 -154.68 168.08 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 65.34 110.876 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.538 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -59.65 -32.3 73.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 53.23 112.497 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.89 -47.75 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 72.24 110.918 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.72 -49.75 28.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 45.42 112.439 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.488 ' HB3' HD21 ' A' ' 64' ' ' LEU . 1.3 m-85 -63.88 -48.69 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 53.32 110.853 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -51.08 -35.79 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.35 -31.02 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 62.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.89 -25.17 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 61.3 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.65 -26.1 30.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.129 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -28.04 19.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.436 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.9 m -100.98 -36.93 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.179 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.12 80.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.088 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' CZ ' HG21 ' A' ' 45' ' ' THR . 70.4 m-85 -82.56 -177.87 6.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.923 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.41 -31.86 11.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.43 110.879 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.831 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -143.78 124.47 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.15 110.906 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG13 HD23 ' A' ' 6' ' ' LEU . 21.6 t -119.65 140.83 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 55.23 111.145 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 8' ' ' ILE . 9.4 mt -131.73 130.94 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 42.13 110.885 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.44 HG23 HG23 ' A' ' 81' ' ' VAL . 9.6 t -131.97 162.71 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.53 111.118 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.856 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.2 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.763 0.316 . . . . 74.2 110.93 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -28.18 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 39' ' ' PHE . 4.0 pp -49.72 -31.05 10.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.893 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.503 HD11 ' CD1' ' A' ' 62' ' ' LEU . 45.4 mt -47.54 -35.05 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.5 111.094 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.31 -47.66 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.15 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 -34.21 72.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 54.44 111.118 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 74' ' ' TYR . 2.9 mm? -59.6 -30.93 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 60.13 110.934 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.1 tmt_? -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 51.43 110.868 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.54 25.08 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.918 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -18.05 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t 64.0 29.47 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.31 -34.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.071 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 68' ' ' LEU . 1.9 m-85 -111.75 -22.16 11.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 70.13 110.88 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -48.01 -40.13 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.14 111.109 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -76.7 -33.91 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 61.03 110.907 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.419 HG23 ' HD2' ' A' ' 78' ' ' PRO . 40.5 m -51.07 133.6 30.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 72.23 111.138 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.813 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.89 112.93 3.23 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.646 2.231 . . . . 75.43 112.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 80' ' ' LEU . 39.6 mm -113.28 132.69 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.23 111.114 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.831 HD23 HD21 ' A' ' 49' ' ' LEU . 1.8 mm? -123.3 118.34 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 71.53 110.886 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 102' ' ' TRP . 14.7 p -104.51 133.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 52.42 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 105' ' ' LYS . 5.9 mt -84.31 149.73 25.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 103' ' ' ILE . 1.6 t -126.34 142.04 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.136 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -51.72 -60.83 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.1 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -117.47 -49.28 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.41 50.21 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 72.23 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.99 147.82 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 61.22 110.883 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.65 -36.57 84.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.854 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.8 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 64.14 111.137 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.91 -36.51 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 61.45 110.925 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -51.77 -36.9 49.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 73.43 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.89 -35.53 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 43.25 111.098 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -60.07 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.093 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -47.69 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 53.55 111.141 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -65.97 -35.56 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.875 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.67 -41.97 87.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 65.53 111.119 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.99 33.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 62.35 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.55 143.9 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 70.02 111.074 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.9 m -57.19 -73.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 74.1 111.127 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.79 178.6 18.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 64.53 112.461 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.454 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.78 164.08 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 73.25 110.916 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.661 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.55 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 62.41 111.107 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.78 142.52 34.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 54.22 110.881 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.772 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -101.1 161.43 23.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.525 0.678 . . . . 75.03 110.922 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 175.42 36.5 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 -1.793 . . . . 75.4 112.339 -0.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.45 ' CG1' HD21 ' A' ' 82' ' ' LEU . 27.3 mm -115.99 140.53 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 53.54 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.55 154.99 73.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 72.45 110.845 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.79 -33.29 16.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 65.14 112.343 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -42.94 32.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 64.44 112.495 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.52 -50.11 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 55.11 111.138 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.836 HD22 HD22 ' A' ' 18' ' ' LEU . 33.1 tp -51.73 -51.02 59.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.935 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 109' ' ' PRO . 94.9 t -60.84 -34.26 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.2 111.144 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.83 -37.43 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 63.2 110.881 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.722 HG11 HD21 ' A' ' 22' ' ' LEU . 8.9 p -84.43 -33.81 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.111 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -54.11 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 21.31 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.46 -34.64 36.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 54.32 111.137 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.813 HD13 ' HG3' ' A' ' 78' ' ' PRO . 11.0 mt -79.13 -35.93 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 63.11 110.924 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.833 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.742 0.306 . . . . 64.22 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.461 HG21 HD11 ' A' ' 5' ' ' ILE . 50.3 mm -64.2 105.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.02 111.161 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -42.47 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 62.01 110.826 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.3 p -149.18 155.32 40.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.1 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.53 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.8 mt -134.93 146.19 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.156 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.597 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -124.61 129.96 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 54.43 110.923 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.549 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -128.15 125.93 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.086 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.597 HD11 HD12 ' A' ' 6' ' ' LEU . 2.8 mp -123.15 121.47 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 53.31 111.143 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -144.32 167.45 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.884 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -86.87 -53.09 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.869 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -64.93 126.08 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.855 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 52.33 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -57.77 -44.88 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.199 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 18' ' ' LEU . 9.7 ttt -58.69 -55.62 32.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 73.53 110.87 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -54.24 -36.14 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.45 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.72 -41.3 65.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 50.31 111.109 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.35 -59.64 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.911 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 112' ' ' LEU . 33.1 mt -51.6 -36.62 46.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.927 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -63.37 -41.47 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.862 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.07 -42.64 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.147 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.3 m -51.92 -42.99 63.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' HB2' HG11 ' A' ' 29' ' ' VAL . 14.3 mt -84.04 -35.93 23.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.92 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -52.7 64.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.115 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.7 -34.46 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 61.12 110.909 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.6 65.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.26 -34.04 5.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 55.31 112.486 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -51.85 155.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 72.01 110.952 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -97.45 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.9 p -88.04 144.0 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.125 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.0 m -140.92 145.27 35.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 65.34 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.35 140.56 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 64.33 111.131 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.8 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 70.14 111.14 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.18 -35.79 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.22 111.107 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -152.7 166.14 33.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.887 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -53.44 -34.58 49.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 74.35 112.452 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -77.91 -36.85 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 31.05 110.896 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -60.8 -34.89 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.45 111.081 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.68 -47.7 7.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 62.25 112.441 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.89 -47.65 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 63.24 110.907 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.95 -40.05 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.9 -34.28 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.937 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -19.98 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.51 111.085 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.74 -22.7 59.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 73.14 111.118 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.82 -29.38 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 64.43 111.13 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -99.15 -42.93 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.116 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 91.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 61.24 111.107 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -88.41 162.32 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -34.86 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 64.53 110.845 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.4 OUTLIER -141.4 140.49 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.889 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' HB ' HD12 ' A' ' 79' ' ' ILE . 22.3 t -136.71 139.57 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.122 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 80' ' ' LEU . 13.1 tp -127.27 128.95 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.904 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.677 HG23 HG23 ' A' ' 81' ' ' VAL . 2.4 t -113.37 158.53 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 61.11 111.132 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.687 ' HA ' HD12 ' A' ' 82' ' ' LEU . 8.7 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.878 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 HD11 ' A' ' 65' ' ' ILE . 2.7 mm? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.794 0.331 . . . . 53.25 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.85 -28.69 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.01 110.887 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 tp -48.97 -33.08 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.888 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 68' ' ' LEU . 59.1 mt -49.71 -39.69 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 61.34 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.87 -42.33 75.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 65.55 111.115 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' HD23 ' A' ' 71' ' ' LEU . . . -61.09 -35.33 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.44 111.097 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 65' ' ' ILE . 5.7 mt -76.67 -27.09 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.11 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.86 24.32 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.52 110.972 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -100.31 -21.92 15.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 60.25 110.872 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t 64.36 29.67 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 45.11 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.51 -35.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 74.43 111.115 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -111.47 -25.56 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.858 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.83 -36.12 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 74.55 111.091 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.7 -33.48 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 53.22 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.466 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.0 m -50.76 134.15 27.61 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.592 0.711 . . . . 54.05 111.149 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.76 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.76 105.7 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.751 2.3 . . . . 72.45 112.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.587 ' O ' HD13 ' A' ' 80' ' ' LEU . 47.4 mm -110.11 135.61 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.112 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 79' ' ' ILE . 1.5 mm? -122.74 119.92 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 62.41 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.677 HG23 HG23 ' A' ' 52' ' ' THR . 7.2 p -104.48 142.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.102 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 105' ' ' LYS . 17.6 mt -84.08 149.94 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.588 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 10.1 t -139.28 164.4 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 63.44 111.162 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.6 p -99.66 -35.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 70.34 111.095 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -128.53 142.97 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.25 55.11 4.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 45.32 112.501 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.78 147.28 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 62.12 110.878 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.11 -36.67 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 71.0 110.83 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.9 -37.0 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 62.21 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.1 -42.27 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 75.51 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -52.04 -36.02 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 62.35 110.88 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.66 80.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 72.32 111.056 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.21 -60.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 72.4 111.073 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.486 ' HB2' HG11 ' A' ' 81' ' ' VAL . . . -53.66 -42.87 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 54.22 111.046 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -67.73 -36.08 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 53.11 110.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -70.55 -40.74 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.46 87.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 64.52 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.16 33.68 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 71.32 112.467 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.2 141.98 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 74.53 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -64.7 -66.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.151 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.73 -179.64 16.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 50.2 112.477 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.35 163.48 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 73.21 110.911 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 82' ' ' LEU . 1.2 pp -150.34 170.52 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.096 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -100.93 138.6 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.778 ' HB3' HD22 ' A' ' 82' ' ' LEU . 5.4 ptmt -103.4 158.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.562 0.696 . . . . 72.3 110.924 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.0 Cg_endo -69.68 175.66 35.43 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 -1.793 . . . . 75.35 112.356 -0.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.521 HD11 HD13 ' A' ' 103' ' ' ILE . 27.7 mm -110.96 149.94 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.069 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.94 158.17 42.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 70.34 110.909 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.556 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.9 Cg_endo -69.79 -36.77 10.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 52.13 112.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.34 55.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 75.23 112.513 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.6 t -79.06 -34.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 61.31 111.113 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 18' ' ' LEU . 10.3 tp -70.53 -40.89 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 64.35 110.935 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 21' ' ' THR . 91.0 t -72.51 -49.76 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 62.13 111.096 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.56 -32.89 69.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 118' ' ' THR . 10.7 mt -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.24 110.946 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 49' ' ' LEU . 37.5 t -84.21 -34.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 53.53 111.13 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.87 59.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.3 111.111 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 115' ' ' LEU . 12.4 t -51.43 -33.3 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 51.23 111.171 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' A' ' 78' ' ' PRO . 11.0 mt -84.73 -34.94 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 53.35 110.848 -179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 61.43 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 119' ' ' LEU . 49.6 mm -52.97 113.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 62.32 111.113 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.44 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -99.63 -43.2 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.22 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.44 HG23 ' HD2' ' A' ' 3' ' ' ARG . 72.4 p -143.98 159.91 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 61.32 111.175 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.442 ' CD1' HD22 ' A' ' 22' ' ' LEU . 72.5 mt -136.43 145.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 62.32 111.134 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -128.22 132.81 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.957 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.597 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -135.58 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 53.32 111.055 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.772 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.3 mp -141.17 131.09 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.119 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.49 171.22 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.05 110.881 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -106.3 -36.44 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -79.64 116.21 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.04 110.805 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.17 41.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.051 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -57.63 -50.1 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.152 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -51.63 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.02 110.866 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.04 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 71.22 110.847 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.98 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 43.15 111.098 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.9 tm? -61.46 -62.03 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 54.44 110.948 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.564 HD22 ' HG ' ' A' ' 112' ' ' LEU . 58.1 mt -56.99 -47.25 81.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.914 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.38 -38.84 81.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.867 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.49 -50.33 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.147 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.6 m -50.65 -45.47 57.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 53.23 111.124 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 116' ' ' VAL . 14.1 mt -77.12 -37.16 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 63.34 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.27 76.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 62.42 111.094 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -61.08 -32.65 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 -20.67 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.35 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.31 -32.41 6.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 71.31 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -51.98 154.23 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.05 110.945 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.0 100.67 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG21 ' HB2' ' A' ' 22' ' ' LEU . 3.3 t -97.95 159.86 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.583 ' O ' HD22 ' A' ' 6' ' ' LEU . 95.7 m -145.8 111.13 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 71.52 111.174 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.54 138.6 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 62.15 111.147 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.05 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.52 111.087 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.41 -35.06 17.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.096 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.05 162.86 35.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 70.31 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.772 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -60.6 -31.7 75.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 75.22 112.444 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.81 -42.48 81.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 71.34 110.89 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.23 -34.69 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 30.24 111.092 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.92 -50.41 13.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 60.31 112.516 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' HD1' HD23 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -64.43 -48.5 75.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 74.45 110.907 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.36 -35.4 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.09 -27.54 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.21 110.894 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.13 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 52.44 111.099 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.01 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 23.21 111.075 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -27.18 29.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 45.33 111.156 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -103.1 -34.46 8.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.86 91.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.099 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.583 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 30.2 m-85 -92.83 -174.89 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.941 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 -34.16 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.989 HD21 HD23 ' A' ' 80' ' ' LEU . 1.1 tt -140.9 132.93 27.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.523 ' O ' HD13 ' A' ' 51' ' ' LEU . 21.9 t -120.16 135.53 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.179 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.4 mm? -124.59 117.34 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.774 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -118.56 135.89 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.24 111.119 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.737 ' HB2' HD12 ' A' ' 82' ' ' LEU . 27.8 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.81 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.761 0.315 . . . . 70.24 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.95 -27.13 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 62.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.604 HD23 ' HD1' ' A' ' 39' ' ' PHE . 10.9 tp -50.04 -29.12 8.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.9 mt -47.22 -34.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.149 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.64 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.1 111.115 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.626 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -68.46 -44.49 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.4 111.089 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.469 HD22 ' CE1' ' A' ' 39' ' ' PHE . 9.2 mp -65.47 -32.22 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.91 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.19 -47.42 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.872 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -67.5 -34.67 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 70.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 67' ' ' ALA . 1.5 mt -64.88 150.73 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 31.44 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -95.3 34.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.858 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.65 -33.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 64.53 111.087 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.55 -22.72 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.1 110.969 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.62 -39.67 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 64.22 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.05 -34.74 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.01 110.914 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.6 m -58.19 132.36 84.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 74.22 111.174 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.1 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 74.34 112.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.593 ' O ' HD13 ' A' ' 80' ' ' LEU . 48.0 mm -113.15 126.33 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.2 111.088 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.989 HD23 HD21 ' A' ' 49' ' ' LEU . 1.6 mm? -123.4 114.41 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 65.21 110.943 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.774 HG23 HG23 ' A' ' 52' ' ' THR . 14.4 p -104.5 147.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.101 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 53' ' ' ASP . 9.5 mt -101.05 151.47 21.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 50.45 110.975 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.8 t -131.39 162.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 55.22 111.117 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.9 p -106.7 -41.38 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.141 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.42 -67.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.6 33.97 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.53 112.501 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.46 176.45 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 43.01 110.849 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.11 -36.79 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.857 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.97 76.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 71.43 111.12 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.51 -41.36 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.4 110.908 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -51.95 -35.86 47.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 54.11 110.877 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.96 75.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.55 111.051 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.73 -61.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.35 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.92 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.23 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.2 ttm-85 -73.32 -35.81 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.14 -44.1 89.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.873 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.31 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 52.24 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.43 32.88 1.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 41.22 112.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.5 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 43.23 111.124 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.2 m -59.79 -70.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.35 111.158 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.95 172.16 21.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 74.33 112.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.497 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -139.21 166.62 24.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 75.13 110.92 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -144.63 161.94 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.04 111.116 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -110.46 105.89 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -54.93 160.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 75.44 110.882 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.8 173.04 46.37 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 -1.798 . . . . 74.42 112.342 -0.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mm -117.11 145.0 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.34 111.164 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.28 156.76 37.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 63.2 110.867 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.461 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.7 -32.64 18.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 70.04 112.38 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.52 -37.66 62.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 61.11 112.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.42 -42.75 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 71.41 111.138 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.564 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.9 tm? -60.17 -54.39 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 43.11 110.893 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.529 ' CG2' HG22 ' A' ' 21' ' ' THR . 85.9 t -59.62 -46.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 71.43 111.119 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -54.88 -38.44 67.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 44.2 110.891 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.23 -34.25 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.918 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.739 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.4 t -83.13 -34.01 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.164 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.77 22.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 73.33 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -51.17 -33.7 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.143 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.524 ' HB2' HD11 ' A' ' 2' ' ' ILE . 11.5 mt -77.18 -46.88 21.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.912 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 54.15 110.908 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 52.33 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -71.93 130.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 74.34 111.083 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.4 -48.66 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.867 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.43 150.38 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.118 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 ' HB3' ' A' ' 49' ' ' LEU . 72.9 mt -133.02 144.93 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.115 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 30' ' ' THR . 27.8 tp -128.57 138.69 52.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.919 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.402 ' H ' HD12 ' A' ' 6' ' ' LEU . . . -134.33 145.75 49.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.44 111.077 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.657 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.8 mp -141.03 108.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.33 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.01 169.92 12.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.858 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -95.16 -36.32 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.25 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -86.75 122.88 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.884 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.42 47.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 72.53 111.144 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -58.37 -47.05 85.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -49.44 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 51.2 110.892 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -36.44 51.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 70.43 110.843 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.03 -42.69 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 23.52 111.103 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.1 tm? -55.72 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 107' ' ' ILE . 50.3 mt -57.63 -36.15 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.934 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -65.22 -38.49 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.32 110.862 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.17 -45.97 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 73.01 111.131 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.8 m -51.67 -47.58 63.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 60.41 111.127 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' HB2' HG11 ' A' ' 29' ' ' VAL . 28.5 mt -75.37 -36.81 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.22 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -53.01 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 51.21 111.08 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -56.45 -34.09 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.893 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.61 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.43 111.09 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.34 -33.13 5.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 53.32 112.462 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -52.36 154.4 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.4 110.908 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -96.11 80.53 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 53.02 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.529 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.3 p -90.66 143.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.143 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.608 ' O ' HD12 ' A' ' 6' ' ' LEU . 85.7 m -139.11 145.6 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.33 111.178 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -107.08 149.68 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.54 111.115 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.82 179.05 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 54.21 111.115 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.54 -35.64 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -151.52 155.63 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.657 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.3 -32.29 36.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.06 -48.28 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 73.34 110.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -35.05 78.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.061 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.39 29.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 74.12 112.469 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 74.25 110.874 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -52.33 -37.02 54.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -84.76 -33.29 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.66 23.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.097 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.86 -27.9 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 63.35 111.1 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -27.68 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 53.51 111.16 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -102.0 -36.43 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.22 111.173 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.73 74.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.111 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.58 174.56 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 60.52 110.913 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.54 -33.9 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 74.52 110.864 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.886 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -138.42 123.71 19.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.896 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.3 t -116.58 141.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -134.14 110.17 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 63.3 110.92 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.834 HG23 HG23 ' A' ' 81' ' ' VAL . 10.2 t -104.92 161.59 14.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.5 111.142 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.36 137.65 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 63.23 110.857 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.78 -177.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 61.34 110.903 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -141.01 63.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.921 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 ttt 63.43 67.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 74.22 110.894 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.76 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 73.13 112.331 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -135.55 -41.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.818 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.98 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 52.33 110.894 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -89.06 -170.29 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 53.11 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.87 -79.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 72.14 112.474 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.6 mt -52.03 -33.89 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 43.11 110.933 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -50.77 -31.85 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 62.54 110.898 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 43' ' ' ALA . 15.0 tp -50.47 -32.62 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.92 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.752 ' HA ' HD12 ' A' ' 68' ' ' LEU . 43.7 mt -50.13 -35.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.102 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.13 -50.26 74.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 42.04 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.56 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 65' ' ' ILE . 6.3 mt -75.93 -35.02 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.925 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -67.83 -49.82 60.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.19 154.67 40.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.924 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.56 35.12 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.843 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.49 -32.28 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.04 111.082 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -111.7 -24.64 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.898 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.44 11.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.32 111.107 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.93 -34.73 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.12 110.864 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.45 HG23 ' HD2' ' A' ' 78' ' ' PRO . 88.3 m -57.7 133.79 82.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 75.41 111.173 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.822 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.6 Cg_endo -69.79 134.28 27.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 72.23 112.357 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.509 ' O ' HD13 ' A' ' 80' ' ' LEU . 46.5 mm -130.04 128.03 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.54 111.113 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.886 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -122.1 118.03 27.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.862 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.834 HG23 HG23 ' A' ' 52' ' ' THR . 13.3 p -104.31 133.5 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.104 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.752 HD23 HD13 ' A' ' 103' ' ' ILE . 4.6 mt -84.14 151.12 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 54.42 110.919 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 103' ' ' ILE . 12.7 t -134.34 169.75 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 t -131.32 -39.41 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 71.52 111.119 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -73.02 -35.84 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.886 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.93 43.59 98.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 73.24 112.484 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.72 165.09 12.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 75.21 110.831 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.54 -36.38 38.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.81 79.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.095 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -61.5 -36.75 81.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -51.89 -35.81 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 53.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.32 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 64.33 111.101 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.99 -57.87 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 71.42 111.117 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -43.07 62.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 41.12 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -70.28 -35.79 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.92 -44.02 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.3 76.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.178 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.54 33.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 43.12 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.28 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 64.52 111.105 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 m -56.15 -71.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 71.21 111.12 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.21 -179.46 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.471 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.24 163.9 29.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 75.53 110.93 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.752 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.86 170.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.42 . . . . 63.34 111.158 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.92 132.58 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.75 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -88.98 158.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 74.12 110.858 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.1 Cg_endo -69.75 175.51 36.25 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 -1.804 . . . . 74.3 112.375 -0.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.586 ' HB ' HD21 ' A' ' 18' ' ' LEU . 26.8 mm -115.73 138.97 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 60.3 111.142 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.95 156.12 60.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 75.45 110.833 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.2 Cg_endo -69.78 -33.59 16.2 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 73.14 112.39 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.04 65.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.798 -0.715 . . . . 64.35 112.493 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.5 t -80.9 -47.21 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 64.23 111.127 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 112' ' ' LEU . 3.0 tm? -58.35 -55.54 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.917 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.491 ' CG2' HG22 ' A' ' 21' ' ' THR . 84.0 t -58.19 -35.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 65.55 111.144 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.89 -38.22 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.05 -36.23 83.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 49' ' ' LEU . 10.1 p -84.39 -34.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 72.05 111.125 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.46 27.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.24 111.094 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.33 -34.49 33.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.822 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.3 mt -79.11 -35.97 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.947 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 p -66.5 -39.13 88.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.847 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.8 153.58 83.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 75.12 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 72.14 112.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -122.5 147.56 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.2 111.084 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -170.48 69.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.52 111.083 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.912 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 70.25 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.801 HD11 ' HB2' ' A' ' 119' ' ' LEU . 41.6 mm -65.35 108.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 61.11 111.137 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -95.44 -41.86 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.863 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.5 p -144.43 159.35 42.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.119 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 22' ' ' LEU . 55.2 mt -141.84 147.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 63.42 111.123 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.951 HD23 HG13 ' A' ' 50' ' ' VAL . 2.6 tp -131.14 138.78 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.919 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -143.76 118.85 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.058 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 51' ' ' LEU . 2.3 mp -110.23 121.42 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 75.31 111.117 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.84 169.45 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.85 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.72 43.45 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 60.41 110.815 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -165.53 123.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.865 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -37.58 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -59.95 -49.84 76.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.124 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.405 ' HE1' ' HA ' ' A' ' 106' ' ' PRO . 1.5 tpt -68.95 -49.1 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.887 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HE ' HG21 ' A' ' 31' ' ' VAL . 26.3 mtp180 -53.88 -37.29 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.839 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 -44.93 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 45.24 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -53.33 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.1 110.94 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.722 HD22 ' CD1' ' A' ' 112' ' ' LEU . 39.5 mt -57.87 -49.45 76.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 61.23 110.892 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -51.91 -36.98 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.55 -46.21 33.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.072 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 109' ' ' PRO . 1.1 m -51.17 -40.94 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.151 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.546 ' CD1' HG21 ' A' ' 5' ' ' ILE . 46.8 mt -83.92 -33.77 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.141 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.83 -37.29 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.933 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -20.7 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.88 -31.56 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 23.11 112.478 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -50.34 153.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 73.34 110.881 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -91.18 81.1 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 22' ' ' LEU . 6.0 p -89.51 138.11 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 62.4 111.102 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -136.08 143.37 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 44.22 111.132 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG21 ' HE ' ' A' ' 15' ' ' ARG . 17.1 m -110.25 138.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 55.41 111.143 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.1 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 55.11 111.078 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.63 -35.53 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.638 ' C ' HG21 ' A' ' 8' ' ' ILE . 39.1 m-20 -155.06 160.29 40.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 54.03 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.539 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.19 -32.06 35.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 64.14 112.503 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -69.42 -51.33 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 61.32 110.921 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.29 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 65.24 111.093 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.23 -53.5 5.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.442 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 65' ' ' ILE . 7.7 m-85 -61.79 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 73.53 110.851 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.4 -39.91 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 mt -85.76 -29.46 23.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 64.14 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.46 -24.29 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.76 -28.3 28.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 71.22 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -28.08 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 55.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -100.16 -36.69 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 61.5 111.13 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 83.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -85.17 177.92 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.948 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.39 -34.1 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 61.31 110.873 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.823 HD21 HD23 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -144.49 124.13 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 51.12 110.912 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.951 HG13 HD23 ' A' ' 6' ' ' LEU . 66.9 t -119.48 141.98 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 53.21 111.164 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.669 ' O ' HD12 ' A' ' 8' ' ' ILE . 9.5 mt -129.97 131.06 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 71.12 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 81' ' ' VAL . 14.8 t -130.61 162.73 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 61.05 111.166 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -120.69 -69.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.867 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.621 ' HG3' HD22 ' A' ' 62' ' ' LEU . 5.1 mm100 54.26 78.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 63.31 110.911 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -74.49 -70.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.918 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.6 mtt -73.44 160.42 82.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 73.2 110.871 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.8 19.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.665 2.243 . . . . 70.54 112.349 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -51.32 -35.68 39.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.01 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.15 88.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 70.44 110.905 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -92.35 -169.57 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 51.34 110.842 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.33 -33.97 5.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 64.44 112.473 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 54' ' ' GLN . 3.4 tp -51.9 -29.88 21.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.746 0.308 . . . . 74.53 110.892 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -50.8 -29.32 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mp -48.9 -33.21 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 39' ' ' PHE . 77.2 mt -50.02 -40.77 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.23 111.124 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.08 -35.38 64.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.102 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -67.68 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.101 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.31 -33.65 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.906 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.36 -48.23 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 75.13 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -61.55 -35.03 76.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 52.41 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -71.76 148.9 45.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 44.43 110.888 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -95.38 35.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.47 -32.34 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 53.12 111.1 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -113.28 -27.47 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.909 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.96 -35.78 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 62.21 111.071 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -83.89 -34.06 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.15 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.444 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.5 m -51.71 133.63 36.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 74.22 111.171 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.79 119.13 6.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 73.45 112.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 80' ' ' LEU . 44.2 mm -121.08 131.46 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 64.22 111.15 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 49' ' ' LEU . 2.0 mm? -122.03 119.39 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.956 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.603 HG23 HG23 ' A' ' 52' ' ' THR . 14.2 p -104.36 134.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 52.23 111.143 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 103' ' ' ILE . 1.6 mt -83.45 150.24 26.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 103' ' ' ILE . 6.3 t -130.52 162.78 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.142 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -117.83 -35.05 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.098 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.6 -35.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 73.14 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.86 33.01 82.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 52.15 112.515 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.87 161.65 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 70.44 110.819 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.52 -36.28 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.03 82.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.105 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -56.39 -38.52 71.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.862 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -51.89 -35.99 47.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.895 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 44.23 111.059 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 72.34 111.124 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.91 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -63.87 -35.69 81.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.9 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.07 -41.25 95.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.15 78.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 72.1 111.104 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.46 32.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 71.22 112.47 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.58 143.46 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 61.12 111.104 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.4 m -59.07 -73.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.135 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.93 -179.1 16.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.481 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.454 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.37 163.15 31.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 75.43 110.928 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.768 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -150.04 170.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.45 111.119 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.87 134.03 48.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 55.12 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 106' ' ' PRO . 2.1 pttp -96.01 159.12 32.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 65.2 110.914 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.7 175.18 37.39 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.729 -1.78 . . . . 62.35 112.296 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.1 mm -116.39 150.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.32 111.182 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.96 155.63 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.697 . . . . 64.45 110.937 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.502 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.9 Cg_endo -69.73 -34.0 15.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 71.14 112.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.76 -34.59 66.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 33.31 112.495 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.4 t -76.46 -49.52 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 72.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.722 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.8 tt -52.83 -58.36 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 62.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.437 ' CG2' HG22 ' A' ' 21' ' ' THR . 88.3 t -53.54 -35.89 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.31 111.123 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.56 -35.78 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.9 mt -68.74 -33.77 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 74.02 110.92 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.7 t -83.8 -34.05 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 21.44 111.169 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.69 -54.75 20.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 73.12 111.074 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.58 -34.63 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.079 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.801 ' HB2' HD11 ' A' ' 2' ' ' ILE . 13.8 mt -74.32 -45.36 47.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.932 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 p -63.61 -36.22 83.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.3 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.84 160.29 61.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 61.33 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.682 2.255 . . . . 55.04 112.358 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.05 147.95 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 51.52 111.132 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.9 49.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 63.21 111.088 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.5 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.875 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 73.4 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.734 HD11 ' HB2' ' A' ' 119' ' ' LEU . 46.9 mm -64.35 112.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.125 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -93.24 -58.71 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 61.25 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.28 164.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.112 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 49' ' ' LEU . 52.2 mt -139.12 147.89 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.754 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -130.16 130.92 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 65.01 110.935 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -130.89 145.77 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 70.43 111.103 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.754 HD11 HD12 ' A' ' 6' ' ' LEU . 4.7 mp -140.71 112.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.11 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.74 171.88 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.862 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -93.17 -52.5 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 65.35 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 t -67.29 120.72 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.904 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 -38.67 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.15 111.101 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.6 m -59.2 -37.38 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.1 111.1 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.35 -45.81 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 71.25 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -57.94 -37.48 74.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 73.33 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.78 -46.57 16.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 43.54 111.075 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.7 tm? -53.2 -61.92 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.791 HD21 ' HB ' ' A' ' 107' ' ' ILE . 6.4 mt -56.39 -48.17 77.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.929 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -52.31 -41.48 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.08 61.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 41.15 111.135 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.1 m -51.44 -42.51 61.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.5 111.175 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.776 HD21 HG21 ' A' ' 116' ' ' VAL . 27.9 mt -83.3 -37.0 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.934 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.79 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.07 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -55.85 -34.08 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 63.42 110.937 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.65 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.23 -32.83 5.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 72.4 112.509 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -52.39 154.46 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 61.41 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -97.75 81.33 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -93.27 143.58 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 53.22 111.134 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.4 m -135.55 140.45 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 63.43 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -96.67 138.73 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 54.25 111.131 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 8' ' ' ILE . . . -100.22 -178.38 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.13 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -35.43 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 62.43 111.111 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.611 ' C ' HG21 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -156.86 164.66 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.33 110.892 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -51.91 -31.93 33.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 64.34 112.457 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.13 -52.49 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 64.11 110.908 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.37 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 72.43 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.04 -47.98 35.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 74.12 112.446 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 2.3 m-85 -63.71 -36.06 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 72.22 110.862 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.37 -23.54 59.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.111 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -14.61 59.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t -114.91 -28.59 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -110.24 -40.18 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.106 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.41 98.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 43.34 111.099 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 6' ' ' LEU . 26.8 m-85 -94.81 162.63 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 64.21 110.919 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 77' ' ' THR . 0.4 OUTLIER -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 62.42 110.896 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.749 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -136.06 136.55 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 60.5 110.922 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.33 136.62 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.44 111.112 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' A' ' 7' ' ' ALA . 10.0 mt -127.17 109.94 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.901 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.551 HG21 ' CE2' ' A' ' 39' ' ' PHE . 9.6 t -115.52 145.65 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.165 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HB2' HD12 ' A' ' 82' ' ' LEU . 27.8 t70 -100.17 85.69 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.1 110.922 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.86 132.45 47.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 62.33 110.87 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -115.86 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.4 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ptp -129.14 157.59 75.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.52 110.852 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.36 2.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 73.31 112.335 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -135.79 144.92 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 71.12 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.34 65.82 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 70.3 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.5 t -168.96 134.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 43.22 110.829 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.4 -80.46 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 71.12 112.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.15 -35.11 61.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 73.41 110.924 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.24 -30.88 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 72.24 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.35 -32.3 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.883 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.63 ' HA ' HD12 ' A' ' 68' ' ' LEU . 41.7 mt -49.3 -37.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.148 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.05 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 62.52 111.125 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -31.51 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.091 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 65' ' ' ILE . 2.3 mt -80.08 -33.88 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.889 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -51.71 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 64.34 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.8 -35.02 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.939 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.48 150.28 45.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -95.2 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.18 -31.93 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 73.25 111.131 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -112.14 -24.78 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.916 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.75 -35.39 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 45.11 111.12 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -83.38 -35.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' ASP . 89.1 m -54.19 125.8 51.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 64.43 111.16 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.275 . . . . 65.01 112.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.687 ' O ' HD23 ' A' ' 80' ' ' LEU . 46.8 mm -102.86 143.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.149 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 79' ' ' ILE . 50.9 mt -134.81 117.6 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 71.41 110.941 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG13 ' HB2' ' A' ' 102' ' ' TRP . 14.7 p -104.38 134.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 70.13 111.16 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.695 HD23 ' CD1' ' A' ' 103' ' ' ILE . 3.6 mt -83.88 152.11 24.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.938 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -142.38 165.38 27.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 44.42 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 t -100.76 -35.12 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -131.98 148.81 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 54.25 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.3 t -85.05 125.65 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 72.32 110.822 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.72 -36.89 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 74.52 110.848 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.92 72.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.14 111.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -65.18 -40.44 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.834 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -51.95 -36.73 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.66 81.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -53.86 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 54.22 111.063 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.41 111.097 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -68.57 -35.9 78.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.915 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.0 -37.91 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 54.34 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.26 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 53.54 111.066 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.82 38.82 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 72.31 112.536 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.6 147.61 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 64.53 111.112 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -66.9 -61.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 65.21 111.158 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.82 174.12 25.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 62.34 112.478 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.47 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.98 163.67 30.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 75.54 110.896 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.695 ' CD1' HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.9 158.9 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.65 132.03 50.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.919 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 11.0 mtpt -76.9 160.37 76.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 71.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.76 176.38 32.84 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 -1.817 . . . . 71.23 112.373 -0.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.791 ' HB ' HD21 ' A' ' 18' ' ' LEU . 31.5 mm -111.1 138.62 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 71.01 111.144 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.21 155.04 52.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 71.02 110.847 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.71 -31.88 19.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 75.02 112.384 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.14 -43.22 33.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 42.42 112.514 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -66.56 -47.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 74.34 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.787 HD13 HD22 ' A' ' 18' ' ' LEU . 7.2 tp -55.72 -42.78 75.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 70.04 110.881 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.57 ' CG2' HG22 ' A' ' 21' ' ' THR . 98.9 t -74.16 -35.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 61.43 111.147 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -62.87 -35.96 81.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 80' ' ' LEU . 94.5 mt -69.85 -33.39 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.909 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.776 HG21 HD21 ' A' ' 22' ' ' LEU . 21.5 t -82.0 -32.96 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.09 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.3 -55.71 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 51.45 111.081 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -51.26 -34.37 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.734 ' HB2' HD11 ' A' ' 2' ' ' ILE . 7.2 mt -73.64 -47.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 50.15 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 p -51.99 -35.97 48.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -102.01 155.87 35.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.685 0.755 . . . . 72.24 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 175.35 8.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 75.43 112.357 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.84 147.34 42.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 33.03 111.096 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.49 66.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.43 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.914 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 73.4 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 HG21 HD11 ' A' ' 5' ' ' ILE . 49.0 mm -60.7 103.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.152 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -92.82 -46.61 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 63.52 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.9 p -140.39 160.04 40.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 43.23 111.145 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 49' ' ' LEU . 57.0 mt -142.1 146.11 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.73 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -123.35 135.71 54.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.905 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -135.4 146.82 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 52.44 111.117 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.73 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -140.64 114.94 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.01 111.141 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.0 165.52 24.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.858 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.42 37.05 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 51.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -156.19 122.43 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 61.23 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.7 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 43.35 111.083 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.4 m -63.76 -52.94 58.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 70.02 111.166 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.56 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.11 110.877 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' O ' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.98 -36.23 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.893 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.33 -36.85 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 73.43 111.078 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.97 -61.34 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 61.13 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.42 -35.18 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.922 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -70.05 -39.13 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 63.2 110.88 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.88 47.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.0 m -51.43 -44.59 62.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 62.33 111.149 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.682 ' HB2' HG11 ' A' ' 29' ' ' VAL . 20.7 mt -78.34 -38.31 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 70.33 110.922 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 52.1 111.079 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -55.78 -33.93 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 70.03 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.64 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.098 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.2 -32.43 6.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.747 . . . . 60.33 112.489 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -51.91 154.44 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.366 . . . . 74.31 110.932 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.35 76.04 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 64.11 110.906 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.8 p -90.15 144.15 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 52.13 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.1 m -139.73 144.85 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 63.23 111.142 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG11 ' O ' ' A' ' 15' ' ' ARG . 17.0 m -100.04 154.21 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.31 111.151 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.77 -176.97 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 60.32 111.109 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.1 -35.67 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.45 111.097 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -153.47 163.04 40.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 61.04 110.893 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.572 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.4 -32.76 38.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 52.13 112.48 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -78.18 -44.98 24.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 72.5 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.04 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.081 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 -51.42 6.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 61.52 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.93 -46.68 86.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 73.13 110.911 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.77 -40.54 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 75.55 110.859 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -80.49 -34.05 36.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.03 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.5 -25.75 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 31.22 111.104 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.85 -29.05 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.109 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -27.79 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.155 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.71 -34.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.41 111.16 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 88.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.32 111.112 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.718 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 62.6 m-85 -91.17 174.46 7.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.943 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 77' ' ' THR . 1.2 t70 -85.5 -36.04 20.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 73.13 110.859 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.629 HD12 HG23 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -138.25 140.33 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 44.23 110.897 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 t -120.36 149.21 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.092 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -138.63 116.02 11.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.91 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.746 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -123.34 156.96 34.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 61.5 111.174 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.825 ' HB3' HD12 ' A' ' 82' ' ' LEU . 22.1 p-10 -135.43 43.57 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 63.31 110.923 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -157.16 144.57 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.935 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -149.59 110.86 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 60.11 110.905 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -168.06 157.54 8.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 72.45 110.878 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.62 21.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 74.42 112.356 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -169.35 154.66 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 70.53 110.87 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -71.83 -36.68 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 64.5 110.863 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -128.18 134.4 49.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.866 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.49 -128.28 5.69 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 54.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.3 mm? -52.04 -35.7 47.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 74.14 110.87 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.62 -32.16 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.41 -32.9 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -50.11 -35.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 61.4 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.66 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.16 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.44 111.082 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.547 HD23 ' CD2' ' A' ' 74' ' ' TYR . 11.0 mp -79.42 -34.76 41.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 45.31 110.913 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -58.56 -52.07 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.34 110.837 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.87 -35.21 66.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 45.34 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.35 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -95.36 35.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.28 -32.16 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 52.33 111.081 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.547 ' CD2' HD23 ' A' ' 68' ' ' LEU . 9.7 m-85 -112.27 -25.87 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 75.11 110.931 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.39 -35.8 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.41 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.16 -35.43 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.886 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP . 87.3 m -54.19 125.71 50.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.525 0.679 . . . . 71.23 111.144 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.722 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.9 Cg_endo -69.73 92.45 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 73.23 112.357 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.576 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.1 mm -80.77 139.31 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.118 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 79' ' ' ILE . 20.9 mt -126.87 118.44 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.923 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.746 HG23 HG23 ' A' ' 52' ' ' THR . 11.4 p -113.65 147.85 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.45 111.156 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' A' ' 53' ' ' ASP . 62.0 mt -94.29 151.23 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 55.42 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.0 t -133.0 145.51 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.155 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -94.53 -35.37 12.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 62.43 111.145 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.79 -70.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.62 39.32 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.518 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -113.38 166.91 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 73.34 110.872 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.18 -44.07 97.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 54.24 110.898 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.17 -41.3 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.097 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.38 -41.7 97.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 63.01 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -52.0 -36.59 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.36 80.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -59.42 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 -47.09 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.75 -35.61 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 72.14 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.9 -41.49 97.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.18 35.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.452 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.89 162.03 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 64.11 111.098 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 m -97.86 -56.51 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.21 111.137 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.6 166.02 23.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.88 164.64 29.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 65.33 110.905 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -145.36 169.77 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.14 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -108.21 101.0 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.842 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.528 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.35 155.89 89.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 72.21 110.893 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.72 167.33 71.32 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 -1.801 . . . . 65.33 112.341 -0.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.84 149.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.27 157.93 47.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 73.11 110.887 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.78 -36.04 11.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 62.5 112.315 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.03 -39.19 54.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 115' ' ' LEU . 93.6 t -68.54 -47.23 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 72.13 111.131 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.69 -54.39 42.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 70.43 110.909 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 109' ' ' PRO . 98.1 t -52.79 -35.17 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.23 111.148 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -70.54 -37.15 74.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' HG12 ' A' ' 111' ' ' VAL . 3.2 mp -65.43 -36.61 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.953 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.629 HG23 HD12 ' A' ' 49' ' ' LEU . 10.1 p -84.45 -34.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 53.43 111.118 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.41 47.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 23.35 111.122 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -51.43 -33.87 32.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.166 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.722 HD13 ' CG ' ' A' ' 78' ' ' PRO . 9.6 mt -80.77 -35.96 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.3 p -65.97 -42.63 89.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.798 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.92 155.88 35.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 72.41 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -170.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 75.22 112.335 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.97 149.06 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 61.54 111.103 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -173.58 50.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 43.42 111.092 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 53.33 110.907 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 63.23 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 119' ' ' LEU . 42.2 mm -70.91 129.62 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 43.43 111.128 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -118.09 -46.65 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.1 p -137.34 162.74 32.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 44.43 111.149 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.7 mt -143.13 147.15 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.3 111.147 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -128.61 135.58 49.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.9 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -132.39 144.79 50.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.054 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.775 HD11 HD12 ' A' ' 6' ' ' LEU . 5.1 mp -141.26 112.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 61.5 111.11 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.37 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.883 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.78 78.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.89 112.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.869 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -51.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 65.21 111.087 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -55.45 -35.29 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.122 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.17 -49.75 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.23 110.888 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.604 HH21 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.59 -34.16 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.871 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -35.28 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.21 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.55 -62.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.928 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 HH21 ' A' ' 15' ' ' ARG . 66.0 mt -52.07 -35.48 47.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.939 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -67.23 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.9 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.55 -44.12 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 54.31 111.108 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.1 m -50.72 -42.91 57.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 62.42 111.12 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.576 ' HB2' HG11 ' A' ' 29' ' ' VAL . 18.8 mt -84.39 -35.11 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.13 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 21.51 111.119 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -55.57 -34.12 64.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.55 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.82 -20.63 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.56 -32.37 6.84 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 64.35 112.454 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -51.86 153.88 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 72.42 110.939 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.95 76.09 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -84.43 144.01 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.11 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -140.5 137.34 33.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.159 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -96.4 161.96 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.55 111.124 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.0 -177.43 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.094 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.37 -35.34 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 54.11 111.104 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.37 160.42 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 60.11 110.871 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.629 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -51.87 -31.49 31.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.491 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -74.06 -47.14 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 74.32 110.938 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -34.97 72.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.064 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.26 -45.16 11.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 73.21 112.514 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.41 -47.0 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.365 . . . . 74.13 110.896 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.42 -39.47 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 54.24 110.855 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.7 mt -83.19 -33.3 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.901 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.54 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.11 111.082 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.89 -27.77 26.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 40.23 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -27.76 23.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 64.01 111.168 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.7 m -101.93 -36.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.126 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.69 75.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 61.21 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.727 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 66.9 m-85 -76.41 166.25 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.967 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 77' ' ' THR . 2.1 m-20 -82.15 -34.41 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.53 110.876 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.841 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 tt -141.7 125.11 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.881 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.581 ' O ' HD12 ' A' ' 51' ' ' LEU . 21.8 t -122.77 149.45 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 55.13 111.168 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 50' ' ' VAL . 5.3 mp -133.73 121.95 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.693 HG23 HG23 ' A' ' 81' ' ' VAL . 5.9 t -115.59 162.16 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 54.52 111.168 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' CA ' HD12 ' A' ' 82' ' ' LEU . 19.7 t0 -118.7 -50.67 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.921 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -55.92 142.45 35.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.915 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -115.76 84.31 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 61.02 110.875 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.0 ttp 52.28 68.03 3.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 70.33 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.533 ' CD ' HD23 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.743 2.296 . . . . 75.44 112.321 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 -179.2 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -59.87 -35.7 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.928 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -101.37 168.46 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 43.12 110.861 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.79 -107.95 3.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 73.02 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD23 ' CD ' ' A' ' 57' ' ' PRO . 4.5 mm? -51.65 -33.67 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 74.25 110.913 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -51.77 -29.62 19.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.942 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 mt -49.37 -32.08 10.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 74.5 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -48.95 -34.8 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 64.04 111.114 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.05 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.13 111.107 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.515 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -66.6 -36.88 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.109 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.95 -33.92 76.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.889 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.18 -44.11 80.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 62.13 110.851 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -73.39 -35.72 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.954 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 67' ' ' ALA . 8.6 mt -67.95 146.13 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -95.35 34.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.13 110.86 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.6 -33.72 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.32 111.095 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.74 -27.49 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.904 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.77 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 43.43 111.105 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.01 -35.51 56.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 48' ' ' ASP . 62.6 m -52.33 126.33 36.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 71.43 111.115 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.485 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.79 98.88 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 64.41 112.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 80' ' ' LEU . 46.5 mm -92.23 135.33 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 74.21 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.841 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -123.85 121.97 36.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.881 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.693 HG23 HG23 ' A' ' 52' ' ' THR . 11.9 p -104.21 140.54 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.2 111.167 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' A' ' 105' ' ' LYS . 1.8 mt -84.13 149.01 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.942 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 103' ' ' ILE . 15.1 t -144.44 172.77 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 61.54 111.145 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -134.39 -40.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -60.34 -74.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 70.03 110.836 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.47 38.04 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 75.51 112.483 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -115.88 134.22 55.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.1 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 4.0 m-20 -53.28 -30.72 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.126 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.25 -52.06 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 88' ' ' ASP . 9.4 ptmt -61.12 -32.82 72.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.88 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.094 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.05 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.058 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.03 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -70.52 -35.79 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.52 -40.12 78.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.868 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.16 75.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.97 37.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 65.12 112.498 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.05 122.64 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 30.12 111.124 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.6 m -51.2 -55.94 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 61.13 111.17 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.89 -179.41 30.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 61.14 112.477 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.596 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.26 164.22 29.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 74.15 110.841 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pp -150.16 170.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.154 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -99.68 118.92 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.804 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.519 ' CB ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -91.12 160.08 38.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 35.55 110.894 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.73 174.97 38.33 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 -1.809 . . . . 75.12 112.348 -0.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.433 HD11 HD13 ' A' ' 103' ' ' ILE . 28.9 mm -115.02 142.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.114 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.24 156.94 90.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 51.4 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.2 Cg_endo -69.82 -37.73 8.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 70.15 112.327 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.18 -33.2 57.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.488 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.37 -50.31 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 72.5 111.129 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.528 HD22 HD22 ' A' ' 18' ' ' LEU . 1.5 tp -51.19 -39.12 55.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.938 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 109' ' ' PRO . 88.3 t -69.51 -33.11 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.108 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 65.33 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.56 -42.39 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 5' ' ' ILE . 9.1 p -84.32 -33.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 65.11 111.174 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.51 26.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.38 -34.86 36.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.13 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.619 ' HB2' HD11 ' A' ' 2' ' ' ILE . 14.0 mt -74.64 -44.25 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 61.35 110.95 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -63.34 -50.53 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.825 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -83.25 153.6 66.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 73.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 64.15 112.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.85 152.07 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 53.42 111.115 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -177.79 55.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 71.2 111.118 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 44.13 110.914 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.724 0.297 . . . . 73.42 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.83 115.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -93.27 -44.32 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.8 p -150.88 167.03 28.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 54.22 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.457 ' CD1' HD22 ' A' ' 22' ' ' LEU . 53.2 mt -139.72 140.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.13 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.715 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -121.83 131.89 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.881 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB1' ' NH2' ' A' ' 15' ' ' ARG . . . -136.8 148.9 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 42.53 111.101 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.705 HD11 HD12 ' A' ' 6' ' ' LEU . 3.9 mp -140.7 138.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 61.34 111.1 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -159.62 169.98 22.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.898 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.18 -63.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 53.14 110.912 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -51.7 107.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.01 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 62.33 111.092 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.9 m -51.63 -35.43 41.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.154 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -59.05 -56.11 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.879 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.599 ' NH2' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -51.94 -37.2 51.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 45.12 111.101 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' HD22 ' A' ' 17' ' ' LEU . 1.6 tm? -73.98 -53.68 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.705 HD23 ' CD1' ' A' ' 112' ' ' LEU . 5.3 mp -60.39 -42.59 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.937 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.548 ' ND1' HG13 ' A' ' 29' ' ' VAL . 81.1 t60 -54.92 -44.11 73.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.883 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 53.53 111.102 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -57.59 -58.23 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.129 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 116' ' ' VAL . 13.3 mt -71.14 -44.66 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 52.42 110.899 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.35 -54.8 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 61.43 111.123 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -57.04 -33.72 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.75 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.21 111.129 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.72 -33.29 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 63.13 112.492 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.47 152.58 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 63.44 110.915 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.2 80.44 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 60.35 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.548 HG13 ' ND1' ' A' ' 19' ' ' HIS . 4.5 p -84.44 132.56 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 44.04 111.144 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.8 m -121.3 137.71 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.13 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -105.28 140.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 53.02 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.28 -175.96 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 42.52 111.108 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.94 -37.3 15.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 64.4 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' C ' HG21 ' A' ' 8' ' ' ILE . 6.1 t70 -151.53 163.03 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.914 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.16 -32.89 36.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 61.05 112.531 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.02 -47.84 41.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.362 . . . . 71.34 110.904 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.13 76.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 64.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.41 -50.67 11.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 35.33 112.487 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.67 -48.64 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 70.23 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.79 -37.08 50.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.868 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.48 -33.27 25.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.1 -25.91 24.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 63.24 111.106 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.75 -27.89 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.54 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.93 -27.81 24.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 74.23 111.138 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.467 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 5.5 m -101.87 -35.49 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.199 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.48 82.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 62.32 111.137 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.715 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 81.7 m-85 -86.24 174.58 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.955 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.89 -35.67 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 43.11 110.889 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.683 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -138.31 128.44 25.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.03 110.919 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.696 ' O ' HD22 ' A' ' 51' ' ' LEU . 24.1 t -113.73 142.41 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.137 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 50' ' ' VAL . 3.9 mm? -130.88 113.01 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 81' ' ' VAL . 2.7 t -119.52 159.45 24.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.12 111.151 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -132.54 -41.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.881 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -55.75 143.49 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.879 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -122.52 107.43 12.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -174.49 73.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 75.24 110.852 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.42 16.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 71.1 112.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -54.03 -36.4 62.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 74.42 110.859 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -96.74 -176.43 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.9 p -72.95 171.02 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.05 -79.64 0.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 64.12 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.57 -34.6 72.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 72.14 110.954 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.28 -31.94 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.892 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 68' ' ' LEU . 4.2 mm? -50.11 -34.27 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.901 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.1 mt -50.28 -43.63 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.79 -56.21 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.41 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 60.12 111.096 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 64' ' ' LEU . 9.8 mp -56.45 -34.26 66.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.932 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.14 -35.65 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 60.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.64 -42.17 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.61 149.84 48.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 61.51 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -95.63 34.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.41 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.84 -33.2 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 75.2 111.082 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.36 -29.02 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 71.42 110.97 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.56 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 52.25 111.087 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.61 -33.68 27.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.435 HG23 ' HD2' ' A' ' 78' ' ' PRO . 89.4 m -51.62 133.74 35.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 70.33 111.151 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.484 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 71.35 112.331 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.683 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.6 mm -103.42 141.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.11 111.165 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 79' ' ' ILE . 26.3 mt -131.71 115.02 15.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.906 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.674 HG23 HG23 ' A' ' 52' ' ' THR . 14.7 p -107.97 149.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.088 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 52' ' ' THR . 2.8 mp -97.93 151.34 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 103' ' ' ILE . 7.5 t -130.93 153.63 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.13 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.4 p -98.33 -36.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 71.32 111.132 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.73 -73.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 61.2 110.856 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.45 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 73.41 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -103.29 152.43 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 60.22 110.865 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -54.7 -39.69 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 55.54 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.29 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 51.23 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.27 -39.84 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -52.67 -36.39 56.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.913 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.13 111.132 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.04 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 71.25 111.08 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.57 -39.07 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.2 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -72.48 -35.75 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.3 -36.24 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.35 83.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 52.42 111.122 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.63 33.6 0.65 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 71.43 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.25 141.33 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 71.51 111.136 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -77.25 -56.46 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 70.43 111.129 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.49 167.4 23.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 34.24 112.496 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.56 164.78 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.714 0.292 . . . . 65.01 110.919 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.7 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.78 168.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 62.31 111.106 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.12 120.08 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -77.2 157.79 80.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 75.4 110.893 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.73 174.52 40.15 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 -1.796 . . . . 73.31 112.352 -0.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.4 mm -114.89 139.76 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 72.32 111.121 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.95 158.32 39.88 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.702 . . . . 72.52 110.919 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.1 Cg_endo -69.73 -32.84 17.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 21.25 112.338 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.76 -38.72 49.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 61.32 112.464 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.62 -40.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 73.41 111.142 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.705 ' CD1' HD23 ' A' ' 18' ' ' LEU . 7.7 tt -60.44 -56.53 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 109' ' ' PRO . 96.1 t -53.12 -35.83 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.101 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.52 -36.21 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.941 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 49' ' ' LEU . 23.8 t -84.38 -35.25 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.33 111.172 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.55 -54.83 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 73.33 111.141 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.8 t -51.66 -35.09 41.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 71.3 111.139 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 78' ' ' PRO . 37.0 mt -76.24 -43.91 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.902 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.9 p -62.31 -42.28 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.828 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -92.35 153.66 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.713 . . . . 74.23 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -171.05 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 62.24 112.317 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.1 156.6 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 53.44 111.069 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -176.69 56.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.092 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.869 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.725 0.298 . . . . 75.24 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.67 125.99 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 71.02 111.176 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -108.67 -50.26 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.823 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.7 p -138.26 161.68 36.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.12 111.116 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.642 ' CD1' HD22 ' A' ' 22' ' ' LEU . 53.7 mt -142.84 143.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 61.52 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.765 HD12 ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -133.55 129.56 37.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.927 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.96 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -133.72 156.23 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.132 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.9 mp -140.56 136.99 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 52.14 111.145 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.08 172.0 15.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 63.3 110.87 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.48 -61.14 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.859 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 m -54.05 102.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.886 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -35.78 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 61.42 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -62.6 -41.28 98.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 74.15 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.2 ttt -62.0 -56.94 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.889 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.435 HH22 HD13 ' A' ' 18' ' ' LEU . 5.0 mmp_? -59.97 -33.77 72.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.99 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.5 tm? -72.7 -43.7 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.92 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.704 ' CD2' HD22 ' A' ' 112' ' ' LEU . 33.0 mt -70.51 -44.22 68.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.962 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.474 ' ND1' HG13 ' A' ' 29' ' ' VAL . 66.7 t60 -51.77 -43.18 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.839 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.4 78.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.05 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.558 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -59.14 -57.5 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.15 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.642 HD22 ' CD1' ' A' ' 5' ' ' ILE . 16.3 mt -67.87 -37.42 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.2 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.4 111.101 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -63.93 -33.39 75.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.962 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 -20.59 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 42.24 111.065 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.07 -32.81 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 55.21 112.463 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -58.34 152.82 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.44 110.929 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.65 78.52 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 75.12 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG13 ' ND1' ' A' ' 19' ' ' HIS . 5.7 p -84.97 135.89 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.083 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -133.4 146.9 51.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 61.13 111.132 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -118.91 138.79 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.108 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.39 -176.37 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.093 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.52 -35.52 22.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.22 111.091 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' C ' HG21 ' A' ' 8' ' ' ILE . 8.3 m-20 -151.77 166.27 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 65.34 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.491 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -56.1 -34.15 61.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 71.32 112.48 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -68.43 -48.48 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.47 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.095 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.42 -45.2 11.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.755 -0.736 . . . . 54.35 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -65.91 -46.43 78.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 75.24 110.847 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.37 -36.16 61.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.63 -32.22 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.874 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -26.07 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 54.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB2' HD21 ' A' ' 64' ' ' LEU . . . -85.21 -27.22 26.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 44.1 111.105 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -27.76 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.176 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.424 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.2 m -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.106 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.92 66.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 73.21 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.765 ' CE1' HD12 ' A' ' 6' ' ' LEU . 78.5 m-85 -67.19 160.35 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.35 110.946 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 77' ' ' THR . 1.5 m-20 -74.63 -33.83 62.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 62.22 110.809 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' A' ' 5' ' ' ILE . 1.1 tt -137.69 128.22 26.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.911 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 22.4 t -116.16 147.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.33 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.96 HD12 ' HB2' ' A' ' 7' ' ' ALA . 10.2 mt -138.4 111.47 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 71.12 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.6 t -121.56 162.73 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.51 111.131 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.43 178.69 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 72.02 110.872 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -129.51 35.44 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -129.16 70.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 52.35 110.851 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mtt -124.62 160.48 53.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 50.55 110.856 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -42.32 3.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 75.34 112.312 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -149.03 169.69 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 71.41 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 80.7 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.913 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p -71.19 -73.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.834 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.99 31.96 3.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 52.01 112.524 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.2 mt -90.16 -34.76 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.769 0.319 . . . . 53.2 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.49 -24.94 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 64.2 110.891 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 43' ' ' ALA . 11.2 tp -48.58 -32.78 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 41.01 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.591 ' HA ' HD12 ' A' ' 68' ' ' LEU . 66.3 mt -48.59 -39.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.11 111.132 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.17 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.058 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.95 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 53.14 111.055 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 65' ' ' ILE . 3.4 mt -79.94 -33.67 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.888 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.58 -51.86 68.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.837 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.95 -35.19 66.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.36 151.28 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 64.42 110.938 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -95.47 34.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.902 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.46 -32.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 72.04 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.88 -24.54 10.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.951 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.12 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.51 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -84.87 -34.53 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 48' ' ' ASP . 38.0 m -51.7 128.12 34.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.533 0.682 . . . . 63.21 111.153 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 102.71 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 73.04 112.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' O ' HD23 ' A' ' 80' ' ' LEU . 49.2 mm -91.88 130.88 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.157 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 79' ' ' ILE . 21.4 mt -123.36 118.05 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.919 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.14 138.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 61.35 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.747 HD23 HD13 ' A' ' 103' ' ' ILE . 9.1 mt -83.9 148.12 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 62.45 110.922 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.649 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 15.4 t -146.51 175.23 10.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.133 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.495 HG23 ' HE3' ' A' ' 105' ' ' LYS . 17.8 p -127.68 -44.29 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 71.53 111.141 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -166.56 66.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.06 -21.29 13.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 62.12 112.512 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 t 63.25 179.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 72.23 110.879 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.8 -34.64 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 71.34 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.53 -30.99 55.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 54.23 111.101 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -81.03 -35.11 32.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.87 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -50.72 -33.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.867 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.11 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 75.12 111.1 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.64 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.34 -36.15 76.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.02 -42.79 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.108 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.37 37.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 74.22 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.2 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 71.33 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.6 m -102.78 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.145 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.81 175.4 21.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 73.05 112.46 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.649 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.05 162.58 33.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 74.1 110.935 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.747 HD13 HD23 ' A' ' 82' ' ' LEU . 1.2 pp -150.72 170.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.107 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -104.07 134.4 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.873 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.746 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -100.87 158.64 31.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 74.53 110.917 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.82 175.79 35.36 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 -1.798 . . . . 55.42 112.331 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 18' ' ' LEU . 24.4 mm -112.83 143.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 65.44 111.129 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.66 156.12 61.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 73.13 110.889 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.521 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.73 -34.79 13.97 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.7 2.267 . . . . 43.41 112.302 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.68 -35.79 62.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 71.42 112.474 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.2 t -83.45 -35.09 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 75.11 111.176 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 18' ' ' LEU . 5.8 tp -65.8 -36.76 84.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.558 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.2 t -80.23 -27.93 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.138 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -72.95 -43.28 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 112' ' ' LEU . 1.3 pp -63.44 -34.91 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 61.21 110.893 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.4 p -84.51 -33.96 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 63.11 111.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.29 -52.3 53.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 70.51 111.134 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 115' ' ' LEU . 11.1 t -51.77 -33.43 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -82.06 -35.73 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.888 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 81.3 p -66.74 -49.38 66.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.12 110.897 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -103.56 153.62 38.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.666 0.746 . . . . 73.32 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 73.52 112.362 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.57 135.98 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 75.02 111.112 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -149.05 38.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.34 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.865 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 74.24 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.33 98.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.149 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -95.33 -49.44 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 52.35 110.882 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 28' ' ' GLU . 34.2 p -132.37 160.37 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 72.42 111.137 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' ' 49' ' ' LEU . 56.9 mt -141.96 141.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.181 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -126.49 131.46 51.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.948 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.617 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -140.12 153.05 46.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.094 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.568 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -141.09 139.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.127 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -163.19 172.39 14.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.884 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.8 -53.49 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.835 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -61.76 101.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 31.12 110.875 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -35.67 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 62.02 111.062 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 m -62.67 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.22 111.172 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.44 -57.04 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.898 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.502 HH22 HD13 ' A' ' 18' ' ' LEU . 5.0 mmp_? -59.5 -34.11 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.875 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.7 -35.5 78.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.108 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.0 tm? -71.84 -53.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 61.51 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.765 HD22 HD22 ' A' ' 112' ' ' LEU . 10.8 mt -62.26 -40.28 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 65.54 110.948 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -51.63 -42.41 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 53.25 110.802 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.11 -35.45 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 64.11 111.138 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.6 m -55.35 -42.56 74.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 60.33 111.12 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 5' ' ' ILE . 19.0 mt -83.85 -34.67 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.906 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.71 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 44.41 111.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.91 -37.97 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.76 -20.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.082 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.06 -33.37 5.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 75.42 112.474 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.75 153.62 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.21 110.951 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HB3' HG22 ' A' ' 4' ' ' THR . 7.4 tp10 -100.46 80.95 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG11 ' HB2' ' A' ' 22' ' ' LEU . 4.3 p -91.35 139.74 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.31 111.143 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -135.42 148.73 49.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.5 111.165 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.08 138.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.53 111.147 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.4 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.58 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 64.43 111.075 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.91 164.15 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.838 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.82 64.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 62.15 112.473 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.87 -42.78 80.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.0 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 61.21 111.155 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.99 -47.25 32.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 64.23 112.475 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.51 ' HE2' HG21 ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.36 -36.23 74.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 74.22 110.877 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.19 -49.04 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.04 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.64 -43.78 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 65.43 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.99 50.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.063 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.61 71.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 71.35 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.12 -31.35 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.156 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.6 m -79.83 -38.43 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.169 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.72 82.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 52.32 111.067 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.38 -35.25 68.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 44.53 110.854 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.618 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -137.56 134.25 35.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.905 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.64 150.08 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.21 111.152 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 80' ' ' LEU . 11.7 tp -139.65 129.7 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.2 t -149.03 148.61 29.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 51.34 111.125 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.612 ' OD1' HD13 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -104.2 158.13 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.851 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.43 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.858 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.75 103.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 63.1 110.925 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.9 mmt -147.47 157.85 44.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 71.43 110.868 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 73.41 112.321 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -83.63 -34.74 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.54 110.917 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -51.15 165.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.854 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -65.53 -172.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.21 110.9 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.08 -83.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 33.13 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.21 -33.6 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.332 . . . . 74.44 110.928 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -50.79 -30.78 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 65.43 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.8 mt -49.67 -33.73 16.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.954 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.6 mt -49.97 -40.1 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 70.13 111.094 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.21 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 63.25 111.099 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.05 -33.68 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 65.04 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -70.37 -51.58 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 63.01 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -55.84 -35.12 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.01 152.51 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 t -95.16 35.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 61.34 110.871 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.46 -31.44 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 62.01 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -113.31 -24.73 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 71.43 110.901 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.31 -36.71 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 71.3 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.75 -35.61 44.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 48' ' ' ASP . 91.2 m -51.91 125.7 31.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.589 0.709 . . . . 72.1 111.14 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.77 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.6 Cg_endo -69.78 94.82 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 35.32 112.345 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 80' ' ' LEU . 43.3 mm -87.31 135.31 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 60.33 111.182 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 51' ' ' LEU . 21.7 mt -125.51 119.62 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 94' ' ' ALA . 11.6 p -108.81 135.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 65.44 111.121 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.716 HD11 ' HG ' ' A' ' 51' ' ' LEU . 2.2 mp -84.14 149.8 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.434 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 7.6 t -127.86 146.78 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.34 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -100.16 -34.48 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.08 -42.02 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.62 49.35 24.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 61.44 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.78 161.76 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 63.32 110.874 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.58 -37.8 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 74.5 110.874 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.34 86.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.53 111.156 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.17 -37.72 81.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -52.12 -35.83 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.942 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.02 82.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 53.23 111.077 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.12 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 81' ' ' VAL . . . -52.01 -47.3 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.098 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -64.92 -35.61 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 54.43 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.66 -41.61 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.13 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.44 44.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 73.23 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.42 151.13 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 74.21 111.099 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.9 m -79.77 -64.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 44.21 111.163 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.81 175.42 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 41.43 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.434 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.01 164.03 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.711 0.291 . . . . 74.42 110.922 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 82' ' ' LEU . 1.1 pp -149.76 170.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 54.11 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.08 134.53 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.9 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.518 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 pttm -100.22 158.52 31.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 72.14 110.879 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.78 175.61 35.93 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 -1.802 . . . . 64.15 112.33 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.84 141.42 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.119 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 157.79 57.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 73.21 110.886 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.503 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.76 -35.72 12.14 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 75.13 112.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.61 -37.33 58.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 74.25 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.47 -46.64 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 54.21 111.144 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.765 HD22 HD22 ' A' ' 18' ' ' LEU . 5.7 tp -59.07 -60.35 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 62.21 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.529 ' CG2' HG22 ' A' ' 21' ' ' THR . 99.8 t -51.45 -35.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.42 111.093 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.5 -35.75 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.898 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.85 -34.86 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.5 t -84.28 -34.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.096 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.59 25.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 65.44 111.105 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.26 -34.82 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.77 HD13 ' HG3' ' A' ' 78' ' ' PRO . 33.0 mt -70.78 -46.25 63.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.6 p -65.62 -52.89 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.42 110.82 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.1 153.77 81.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 73.22 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.09 28.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 73.41 112.367 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.8 174.56 10.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 52.44 111.093 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.36 36.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.086 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 70.51 110.861 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.11 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.19 141.9 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -134.2 -46.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.21 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.111 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.592 ' CD1' HD22 ' A' ' 22' ' ' LEU . 64.4 mt -132.37 143.68 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.43 111.122 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.799 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -120.58 133.32 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 63.53 110.922 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.594 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -131.13 147.01 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.103 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.799 HD11 HD12 ' A' ' 6' ' ' LEU . 4.3 mp -140.62 108.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.15 171.41 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.897 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -103.36 -48.23 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -52.34 110.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 54.55 110.838 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.9 -35.8 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 40.41 111.102 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 m -70.16 -38.62 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.143 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.587 ' CE ' HD23 ' A' ' 17' ' ' LEU . 4.0 tpt -68.88 -50.83 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 60.34 110.922 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.49 -36.8 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.4 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.49 -44.97 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 64.21 111.112 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD23 ' CE ' ' A' ' 14' ' ' MET . 21.3 tp -62.2 -61.55 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.884 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD22 ' HG ' ' A' ' 112' ' ' LEU . 92.4 mt -51.44 -35.93 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 50.23 110.91 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -63.38 -41.33 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.01 110.878 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.38 47.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 72.04 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.602 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.6 m -51.42 -44.02 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 64.52 111.097 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.592 HD22 ' CD1' ' A' ' 5' ' ' ILE . 7.8 mt -84.04 -36.37 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 72.14 110.897 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -53.02 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 71.23 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -55.84 -33.6 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.92 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.66 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.33 111.075 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 -33.28 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -54.79 154.26 5.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.41 110.894 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.97 80.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.51 143.7 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 53.14 111.137 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -139.36 137.83 36.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.97 138.88 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.33 111.066 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.32 179.26 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 33.31 111.111 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.07 -35.36 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 53.3 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -156.94 162.51 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.848 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.554 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.15 -32.19 35.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 45.31 112.467 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.71 -50.72 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 73.03 110.91 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.62 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 70.44 111.132 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.12 -52.18 9.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.22 112.48 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.16 -47.59 76.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 64.53 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.73 -36.13 45.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.896 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.81 -33.38 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.94 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.97 24.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 41.54 111.077 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.94 -28.37 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 64.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -27.72 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 64.21 111.152 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -101.98 -36.35 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.082 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.22 67.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 71.51 111.132 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.754 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 70.0 m-85 -68.13 174.56 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.909 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 77' ' ' THR . 1.4 m-20 -86.97 -34.56 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 63.34 110.843 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.984 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 tt -141.28 131.3 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.712 ' O ' HD22 ' A' ' 51' ' ' LEU . 23.3 t -112.6 148.65 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 41.31 111.12 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 50' ' ' VAL . 2.6 mm? -135.87 113.1 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 43.55 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.836 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -116.34 153.39 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.145 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.17 -73.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.852 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -66.44 132.76 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.935 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.9 111.67 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.893 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.75 160.91 42.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.703 . . . . 71.23 110.895 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 126.62 13.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 71.14 112.301 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -164.19 140.17 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -55.0 -37.7 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 62.12 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 m -125.51 155.62 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 35.42 110.875 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.2 -106.84 2.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 44.01 112.466 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.3 -35.08 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.318 . . . . 73.25 110.924 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -51.82 -29.74 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.842 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -49.19 -32.95 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 62.24 110.92 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 68' ' ' LEU . 54.1 mt -50.01 -36.93 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.158 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -42.55 85.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.115 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.44 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 52.04 111.105 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' HD23 ' A' ' 64' ' ' LEU . 7.7 mt -78.51 -34.53 47.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.893 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 65.31 110.85 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -56.19 -35.47 67.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.01 110.894 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.68 151.14 43.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.942 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.4 p -95.35 35.68 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.4 -32.28 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 35.33 111.065 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.85 -24.35 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.36 -38.93 20.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 73.33 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.89 -35.27 59.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 70.22 110.862 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 48' ' ' ASP . 85.9 m -57.94 126.34 76.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 60.31 111.126 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.717 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.4 Cg_endo -69.71 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 74.21 112.37 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 44.3 mm -103.18 127.57 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.143 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.984 HD23 HD21 ' A' ' 49' ' ' LEU . 1.6 mm? -122.85 114.0 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.906 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.836 HG23 HG23 ' A' ' 52' ' ' THR . 14.4 p -104.58 146.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 65.42 111.145 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.82 151.53 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 103' ' ' ILE . 10.2 t -136.46 161.69 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.149 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.3 p -104.25 -45.05 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.203 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -74.48 -62.32 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 62.35 110.897 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.07 33.4 8.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.05 112.496 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.88 157.38 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 64.43 110.905 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.8 -36.1 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 63.21 110.882 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.04 84.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.89 -37.39 76.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.877 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -52.03 -35.84 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.896 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 72.34 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -57.24 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.3 111.097 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -49.65 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.14 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -66.01 -35.62 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.887 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.81 -44.2 94.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.22 110.869 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.29 84.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 70.24 111.08 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.16 35.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 51.22 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.71 142.25 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 71.43 111.123 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.8 m -69.77 -67.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.172 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.0 170.76 21.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 63.23 112.489 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.591 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.66 166.53 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 73.12 110.898 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -143.76 167.22 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.51 111.101 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.2 128.72 55.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 65.55 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -74.96 160.5 80.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 71.52 110.882 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.8 176.87 30.98 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 -1.799 . . . . 62.55 112.335 -0.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.0 mm -110.6 140.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 61.04 111.153 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.58 156.13 35.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 72.25 110.858 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.3 Cg_endo -69.81 -31.03 21.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 71.33 112.308 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.22 -37.22 49.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.43 112.468 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.41 -46.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 71.44 111.142 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.677 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.9 tm? -56.07 -51.92 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 45.21 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.602 ' CG2' HG22 ' A' ' 21' ' ' THR . 84.2 t -63.4 -52.27 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 61.33 111.103 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.78 -36.06 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.8 -35.41 79.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 61.44 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.668 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.3 t -84.6 -35.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 53.43 111.128 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.73 -54.22 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.1 -34.61 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.114 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.717 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.4 mt -79.55 -35.82 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 54.45 110.967 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 p -62.45 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 61.34 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.03 155.91 36.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.24 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.646 2.231 . . . . 73.45 112.359 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.15 149.83 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 64.43 111.11 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -165.72 52.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 35.41 111.126 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.918 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 71.23 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mm -59.18 116.21 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.21 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.564 ' HD2' HG23 ' A' ' 4' ' ' THR . 2.6 tmt_? -102.71 -48.23 4.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.564 HG23 ' HD2' ' A' ' 3' ' ' ARG . 66.8 p -140.76 164.99 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 63.43 111.151 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.5 mt -142.04 143.57 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 71.02 111.108 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -123.53 137.19 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.916 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.544 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -137.6 147.7 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 71.24 111.079 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -140.9 128.48 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.093 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.17 161.83 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.893 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.15 -42.34 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 71.04 110.839 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 m -69.38 113.69 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.87 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.41 47.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.109 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -55.42 -49.7 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 44.55 111.139 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ttm -66.05 -46.91 76.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.829 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' O ' HG11 ' A' ' 31' ' ' VAL . 26.3 mtm180 -52.19 -38.11 56.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.904 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.7 -43.5 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 54.21 111.129 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -54.73 -62.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.868 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 112' ' ' LEU . 85.3 mt -57.38 -35.35 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.35 110.969 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -65.43 -39.1 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.823 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -47.66 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 41.12 111.072 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.497 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.5 m -51.2 -40.21 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 71.33 111.161 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD22 ' CD1' ' A' ' 5' ' ' ILE . 34.0 mt -82.91 -35.26 26.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.948 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.11 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 44.21 111.092 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -55.73 -37.48 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.66 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.08 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.31 -31.52 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 65.01 112.465 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -50.43 153.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 73.23 110.903 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.01 77.51 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 61.43 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.9 p -85.36 140.18 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 55.22 111.158 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -140.84 131.96 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.415 HG11 ' O ' ' A' ' 15' ' ' ARG . 33.1 m -96.89 138.81 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 64.52 111.157 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.11 -176.74 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.14 111.094 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.11 -35.54 16.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.096 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' HG21 ' A' ' 8' ' ' ILE . 16.4 m-20 -155.59 164.97 37.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.853 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.527 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.33 -32.79 37.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 74.11 112.509 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.02 -48.21 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 72.14 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -35.14 72.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 50.44 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.39 -46.42 12.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 62.13 112.523 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.76 -47.68 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 73.43 110.859 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -52.15 -37.56 54.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.02 -34.7 24.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.17 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' HD11 ' A' ' 68' ' ' LEU . . . -84.92 -29.31 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.3 111.098 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 -27.8 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 70.43 111.158 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.43 -35.79 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.02 76.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 42.23 111.105 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.723 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 58.6 m-85 -76.94 173.99 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.94 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -35.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 63.04 110.904 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.795 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -142.78 121.91 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.917 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.437 ' HB ' HD12 ' A' ' 79' ' ' ILE . 22.0 t -113.72 149.52 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.41 111.149 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -137.8 110.21 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.933 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 81' ' ' VAL . 15.2 t -109.23 162.66 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.41 111.161 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -114.41 150.02 35.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 71.42 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -52.52 170.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.914 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -165.0 143.63 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.95 160.63 1.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 71.11 110.869 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.57 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 54.51 112.333 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.13 -179.95 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 63.23 110.84 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.98 72.07 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -93.78 -176.31 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.838 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.68 31.96 6.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 70.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.1 -34.5 15.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 75.51 110.909 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.22 -31.38 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -32.35 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.4 mt -50.31 -35.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.166 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.62 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.22 111.061 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.57 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.112 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 43' ' ' ALA . 11.0 mp -78.75 -34.71 45.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.91 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 10.6 tpt180 -61.16 -51.31 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.01 110.838 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.07 -35.23 66.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 65.33 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.11 151.81 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 50.3 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -95.56 35.52 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.4 110.874 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.63 -32.25 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 75.12 111.094 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.07 -27.45 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.933 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -47.65 -35.74 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 25.34 111.115 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -85.01 -34.04 22.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.6 m -53.2 133.54 51.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.586 0.707 . . . . 55.42 111.122 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.736 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.1 Cg_endo -69.72 108.19 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 61.51 112.367 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.437 HD12 ' HB ' ' A' ' 50' ' ' VAL . 48.0 mm -111.24 126.43 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.133 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.795 HD23 HD21 ' A' ' 49' ' ' LEU . 2.6 mm? -118.28 120.79 38.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 64.32 110.908 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.674 HG23 HG23 ' A' ' 52' ' ' THR . 8.1 p -104.69 137.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.03 111.115 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.655 HD23 HG13 ' A' ' 103' ' ' ILE . 10.3 mt -83.71 147.6 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 54.12 110.904 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 103' ' ' ILE . 5.8 t -132.87 162.53 31.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.33 111.179 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.8 p -112.7 -37.07 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 61.35 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -72.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.875 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.69 33.32 4.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 73.41 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -117.4 179.9 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 64.13 110.862 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -72.36 -36.27 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 75.42 110.833 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.04 -37.59 54.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.32 111.132 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -73.3 -40.39 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.25 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -52.8 -36.31 58.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.9 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.76 81.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 53.23 111.098 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.23 111.099 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.077 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -64.53 -35.78 82.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.1 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.46 -40.16 96.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 61.14 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.3 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.12 111.112 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.06 33.62 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 61.4 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.06 135.58 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 71.51 111.115 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.0 m -52.84 -69.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 51.1 111.165 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.43 -179.12 16.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 75.02 112.535 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.03 165.46 25.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.695 0.283 . . . . 74.34 110.978 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pt -150.36 165.87 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 74.22 111.137 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.51 108.44 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -73.72 159.86 83.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 71.42 110.911 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.73 170.41 58.48 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 -1.783 . . . . 72.24 112.398 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.6 mm -114.24 139.35 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.25 111.127 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.08 158.05 65.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 74.13 110.842 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.434 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.5 Cg_endo -69.82 -32.78 17.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 54.34 112.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.23 -33.4 61.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 73.22 112.485 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.72 -44.26 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 65.4 111.159 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' ' 18' ' ' LEU . 3.1 tm? -58.29 -60.17 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.2 110.936 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.497 ' CG2' HG22 ' A' ' 21' ' ' THR . 94.6 t -53.95 -35.77 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.134 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -71.11 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.98 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 34.01 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.626 HG23 HD12 ' A' ' 49' ' ' LEU . 10.3 p -84.27 -34.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.118 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.35 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.04 111.11 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.82 -35.38 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.12 111.155 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.736 HD13 ' HG3' ' A' ' 78' ' ' PRO . 10.0 mt -77.04 -42.3 39.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 60.21 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.13 -46.17 90.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -91.47 153.68 44.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 71.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -171.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.254 . . . . 72.35 112.344 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.76 149.92 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 60.21 111.076 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.9 50.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.119 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.851 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 75.42 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.99 105.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.54 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.68 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -85.64 -60.43 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.87 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 3' ' ' ARG . 43.5 p -137.44 168.61 19.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.112 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.533 ' CD1' HD22 ' A' ' 22' ' ' LEU . 63.4 mt -139.51 145.12 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.163 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.879 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -126.75 134.54 50.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.932 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.636 ' HB1' ' NH1' ' A' ' 15' ' ' ARG . . . -133.95 144.28 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.04 111.101 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.879 HD11 HD12 ' A' ' 6' ' ' LEU . 4.0 mp -140.61 129.24 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 60.21 111.152 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -163.33 171.96 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.865 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -89.01 -53.11 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 63.44 110.839 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -62.96 104.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.2 110.879 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -37.25 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.108 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -60.41 -35.23 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.135 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.411 ' HE1' ' HB3' ' A' ' 106' ' ' PRO . 25.3 tpp -66.16 -56.69 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 44.43 110.887 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.636 ' NH1' ' HB1' ' A' ' 7' ' ' ALA . 4.7 mmp_? -60.89 -33.36 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.836 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.16 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.2 tm? -71.74 -35.09 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 72.4 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.598 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.938 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -62.01 -35.99 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.838 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.18 -42.63 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.092 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.2 m -55.55 -59.06 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 75.11 111.12 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 5' ' ' ILE . 17.6 mt -63.12 -35.82 81.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 34.11 110.931 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.78 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 63.42 111.08 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -58.28 -33.38 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.936 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -20.67 65.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 64.22 111.073 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.51 -32.96 5.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 64.04 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -51.67 154.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 75.15 110.911 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.519 ' HB3' HG22 ' A' ' 4' ' ' THR . 5.4 tp10 -98.57 81.57 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 74.14 110.857 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.37 143.68 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.114 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -134.36 154.92 51.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.169 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.17 138.76 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 63.24 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -179.8 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.36 -35.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.41 111.092 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -145.4 155.67 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 65.22 110.83 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.676 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.22 -32.89 37.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 31.23 112.485 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -71.16 -50.07 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 63.22 110.902 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.03 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 64.34 111.118 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.67 -44.56 12.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 75.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.613 ' HB3' HD12 ' A' ' 64' ' ' LEU . 3.2 m-85 -65.83 -46.47 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 61.13 110.91 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.43 -35.86 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.64 -34.73 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 60.13 110.935 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.57 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 72.35 111.102 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -85.68 -28.11 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 44.1 111.12 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.66 -27.3 27.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 61.23 111.143 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -103.21 -36.05 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 51.14 111.129 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.09 67.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 64.25 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.751 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 70.9 m-85 -67.37 169.19 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.916 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 77' ' ' THR . 1.4 t70 -82.36 -34.31 28.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 62.23 110.877 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.852 HD21 HD23 ' A' ' 80' ' ' LEU . 1.1 tt -141.98 125.99 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.908 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.692 ' O ' HD22 ' A' ' 51' ' ' LEU . 21.5 t -115.91 150.48 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.1 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 50' ' ' VAL . 4.1 mm? -131.47 118.61 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.898 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 54' ' ' GLN . 6.4 t -126.68 162.59 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.21 111.13 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -96.45 -42.26 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.823 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.623 ' HA ' HD21 ' A' ' 62' ' ' LEU . 52.6 mt-30 59.12 63.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 61.41 110.868 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -113.49 104.84 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 51.32 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 mmm 61.16 72.9 0.64 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.537 0.684 . . . . 73.45 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 140.55 42.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 54.54 112.375 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -133.08 36.26 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? 61.1 43.51 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.6 p -134.01 99.01 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 52.4 110.8 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.92 -60.28 4.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 72.43 112.51 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 54' ' ' GLN . 8.5 mp -52.6 -37.31 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 73.2 110.941 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.88 -31.15 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.891 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 39' ' ' PHE . 94.6 mt -49.99 -33.09 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 68' ' ' LEU . 69.0 mt -50.4 -38.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.1 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.114 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.82 -33.92 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.42 111.088 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.1 mt -75.7 -34.55 60.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 54.25 110.913 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.12 -51.08 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.92 -35.02 66.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.902 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.18 153.84 42.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.5 34.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 62.41 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.76 -32.26 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.13 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.29 -25.06 9.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.53 110.891 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.12 -35.7 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.44 -35.24 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 65.12 110.877 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 48' ' ' ASP . 98.4 m -52.78 125.92 39.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 64.41 111.124 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.806 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.5 Cg_endo -69.76 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 64.23 112.34 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' HD13 ' A' ' 80' ' ' LEU . 42.0 mm -100.11 132.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 71.42 111.121 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 49' ' ' LEU . 1.7 mm? -123.41 121.64 36.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.874 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG23 ' HG3' ' A' ' 54' ' ' GLN . 7.2 p -104.38 139.0 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 63.03 111.13 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 105' ' ' LYS . 5.5 mp -84.19 137.8 33.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 64.32 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 103' ' ' ILE . 8.1 t -125.51 163.85 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 52.41 111.16 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 t -119.5 -34.9 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.125 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.89 -70.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.37 5.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 72.14 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -109.47 -176.76 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 41.03 110.884 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -79.73 -38.09 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.87 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.51 70.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.1 111.104 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.0 -42.22 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -55.45 -36.03 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 54.31 110.877 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.8 71.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.092 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -61.42 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 71.21 111.069 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.68 -44.94 66.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 42.13 111.091 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -67.03 -35.58 80.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 73.13 110.846 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.09 -41.61 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.901 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.07 -37.31 72.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.142 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.72 34.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.85 136.58 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.4 111.12 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.1 m -53.92 -70.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 64.5 111.128 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.25 -178.87 16.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 53.21 112.52 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.26 165.32 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 74.1 110.897 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.725 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pp -149.88 170.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 64.51 111.118 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -102.99 133.94 47.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.886 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.69 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -99.36 158.39 32.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.537 0.684 . . . . 63.12 110.898 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.78 175.65 35.76 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 -1.803 . . . . 62.13 112.345 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.59 137.98 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.12 111.133 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 157.2 79.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 71.52 110.906 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.534 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.77 -36.01 11.55 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.703 2.268 . . . . 73.34 112.3 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.05 -40.31 51.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 34.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.36 -47.88 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 74.54 111.154 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.69 -47.06 67.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 71.11 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 109' ' ' PRO . 95.2 t -65.73 -35.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.12 111.171 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.831 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.4 ' O ' HG22 ' A' ' 118' ' ' THR . 59.9 mt -61.94 -35.1 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 61.51 110.909 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.72 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.6 t -84.29 -35.87 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.125 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.22 -53.3 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 30.04 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 115' ' ' LEU . 11.4 t -51.5 -33.3 31.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.118 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.806 HD13 ' HG3' ' A' ' 78' ' ' PRO . 8.6 mt -81.52 -35.75 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.55 110.954 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.9 p -67.57 -49.14 64.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.826 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -101.63 155.87 35.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 75.24 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 73.1 112.367 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.37 149.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.149 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.67 52.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 44.32 111.128 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.918 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 71.43 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.76 101.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 54.23 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -85.69 -38.43 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 70.21 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 p -150.73 177.39 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.151 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.643 ' CD1' HD22 ' A' ' 22' ' ' LEU . 57.6 mt -147.21 145.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 61.03 111.114 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.801 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -128.52 128.42 44.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.942 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.556 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -132.97 139.9 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.32 111.087 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.801 HD11 HD12 ' A' ' 6' ' ' LEU . 3.3 mp -138.04 137.12 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.187 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -163.1 169.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.865 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -108.73 43.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 64.45 110.873 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -151.23 111.18 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.898 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.64 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 60.22 111.102 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 m -64.18 -52.16 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.31 111.159 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 ttp -65.28 -47.69 75.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.02 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.18 -36.55 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.911 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.75 17.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.53 111.119 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.495 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -56.72 -62.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.31 110.905 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.465 HD21 ' HB ' ' A' ' 107' ' ' ILE . 61.6 mt -55.75 -51.65 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.45 110.943 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.795 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.12 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.131 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.598 HG21 ' HA ' ' A' ' 109' ' ' PRO . 7.2 m -50.71 -42.03 56.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 52.1 111.149 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.643 HD22 ' CD1' ' A' ' 5' ' ' ILE . 7.7 mt -84.7 -35.0 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 73.13 110.913 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.65 54.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.077 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.85 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.913 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -21.05 66.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 60.14 111.081 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.35 -32.04 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 53.11 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -49.9 153.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 72.53 110.924 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 22' ' ' LEU . 3.5 t -96.19 158.57 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.168 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' HD22 ' A' ' 6' ' ' LEU . 95.0 m -143.26 110.6 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.53 111.185 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -95.8 138.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.137 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.4 -175.96 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.105 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.81 -35.61 26.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.66 169.18 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.808 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.781 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -61.95 -32.55 82.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.479 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -68.21 -44.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 54.14 110.869 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.06 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.135 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.45 -47.38 22.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 74.21 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 2.1 m-85 -64.89 -41.79 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 73.13 110.831 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.18 -38.29 73.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.44 -33.96 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 61.53 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.36 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.13 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.03 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 -27.5 26.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -102.69 -36.27 8.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 41.41 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 88.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 54.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 46.0 m-85 -90.64 175.94 6.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.867 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 -35.08 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.607 HD12 HG23 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -135.98 127.77 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.873 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.556 ' O ' HD13 ' A' ' 51' ' ' LEU . 21.8 t -120.58 138.37 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 53.33 111.12 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.0 mm? -123.53 110.25 14.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 51.44 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.635 HG23 HG23 ' A' ' 81' ' ' VAL . 3.8 t -112.54 141.4 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.131 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -112.03 -35.98 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.871 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' C ' HD21 ' A' ' 62' ' ' LEU . 20.9 tp60 -51.51 163.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 64.13 110.914 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.79 175.5 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.949 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 mtp 56.53 73.79 0.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 72.25 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 95.89 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 70.23 112.376 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -104.63 -36.03 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.4 110.89 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 -170.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.89 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.9 p -52.07 159.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.837 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.49 -107.7 2.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.73 -0.748 . . . . 54.44 112.501 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD21 ' C ' ' A' ' 54' ' ' GLN . 5.8 mp -51.67 -35.05 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.782 0.325 . . . . 73.43 110.899 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -51.46 -30.72 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.52 110.866 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.1 mt -50.54 -34.15 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.941 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 ' CZ ' ' A' ' 39' ' ' PHE . 75.9 mt -50.06 -40.72 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.55 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 35.02 111.115 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.41 -33.13 55.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 54.34 111.089 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 74' ' ' TYR . 10.9 mp -77.64 -33.69 53.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 74.3 110.904 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.4 ttt85 -62.35 -51.64 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.886 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.05 -34.76 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 61.5 110.908 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.37 152.88 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.23 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 t -95.12 35.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.51 110.807 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.74 -32.31 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 62.33 111.085 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.577 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.0 m-85 -111.7 -26.02 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.925 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -47.93 -35.44 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.095 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -34.36 24.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 75.51 110.878 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.432 HG23 ' HD2' ' A' ' 78' ' ' PRO . 84.8 m -57.11 133.42 80.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.7 . . . . 63.43 111.155 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 77' ' ' THR . 53.7 Cg_endo -69.73 114.92 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 52.32 112.318 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.51 116.41 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 73.12 111.088 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -107.15 117.26 33.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.671 HG11 ' CB ' ' A' ' 94' ' ' ALA . 11.0 p -104.53 133.39 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 62.32 111.145 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.659 HD23 ' CB ' ' A' ' 105' ' ' LYS . 6.1 mp -83.85 142.97 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.886 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.711 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 7.3 t -127.27 163.97 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 55.3 111.092 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 t -118.27 -34.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.3 111.167 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.5 -47.45 22.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 52.08 13.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.505 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 t -124.16 153.18 41.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 64.24 110.89 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -53.73 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.845 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.7 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 41.03 111.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.07 -36.19 80.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -63.52 -37.01 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.1 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.118 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.42 -61.6 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.24 111.094 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.671 ' CB ' HG11 ' A' ' 81' ' ' VAL . . . -52.32 -45.38 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.1 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -66.82 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.909 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 70.3 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.32 81.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 54.34 111.07 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.86 46.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.719 . . . . 61.03 112.51 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.21 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 63.42 111.088 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.8 m -89.88 -54.18 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.32 111.131 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -137.72 174.36 21.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 52.5 112.509 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.711 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.38 165.44 26.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 70.22 110.904 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 83' ' ' THR . 0.6 OUTLIER -150.53 169.78 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 62.44 111.1 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.32 125.37 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.659 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -89.24 157.7 47.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 63.23 110.901 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.82 176.01 34.49 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.656 -1.81 . . . . 71.32 112.354 -0.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.465 ' HB ' HD21 ' A' ' 18' ' ' LEU . 46.6 mm -104.26 142.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 62.33 111.15 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 158.67 48.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 71.24 110.836 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.598 ' HA ' HG21 ' A' ' 21' ' ' THR . 54.0 Cg_endo -69.75 -35.96 11.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.219 . . . . 75.0 112.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.3 -32.83 33.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 53.44 112.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.4 t -74.94 -33.29 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 62.33 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.98 -35.4 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.896 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.536 ' CG2' HG22 ' A' ' 21' ' ' THR . 94.0 t -79.72 -39.21 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.079 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.73 -32.84 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.05 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 118' ' ' THR . 17.6 mt -71.28 -37.83 71.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 53.44 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 22' ' ' LEU . 12.1 p -82.55 -33.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 70.42 111.135 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.97 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 62.24 111.15 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' LEU . 12.7 t -51.67 -32.69 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 51.23 111.149 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' HG3' ' A' ' 78' ' ' PRO . 32.1 mt -75.15 -35.91 61.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 71.52 110.905 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.0 p -74.5 -52.33 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -117.39 153.76 50.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 64.04 110.923 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 173.99 10.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 63.42 112.347 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.75 150.74 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.113 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.15 41.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.14 111.088 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.868 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.715 0.293 . . . . 74.13 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.27 101.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 51.41 111.109 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -95.73 -57.37 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 62.41 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.9 p -124.27 160.16 28.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.146 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' CD1' HD22 ' A' ' 22' ' ' LEU . 75.0 mt -145.11 138.16 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -118.78 137.78 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 54.24 110.93 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -138.2 153.66 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.061 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.768 HG21 ' HA2' ' A' ' 35' ' ' GLY . 5.0 mp -141.11 122.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.133 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -153.42 160.58 42.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.886 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.11 -36.74 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 t -67.65 113.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 25.41 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.97 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.12 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.2 m -63.01 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 35.11 111.148 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.9 tpp -73.2 -37.98 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.867 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -64.37 -36.47 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.91 -48.39 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.23 111.103 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -53.13 -61.48 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 42.24 110.945 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.698 HD22 HD22 ' A' ' 112' ' ' LEU . 76.6 mt -55.26 -49.66 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.927 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -54.75 -35.86 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.909 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -39.97 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 60.35 111.147 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -51.67 -59.65 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.096 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.625 HD22 ' CD1' ' A' ' 5' ' ' ILE . 31.3 mt -67.39 -35.82 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 62.34 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -52.62 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.24 111.132 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.65 -34.5 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.923 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.6 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 44.55 111.13 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.63 -33.41 5.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 74.14 112.455 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -53.4 154.18 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.343 . . . . 73.13 110.92 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -98.23 88.2 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 22' ' ' LEU . 4.0 p -95.65 139.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 72.45 111.092 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -132.01 131.39 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -96.43 138.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 64.55 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.71 178.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 75.01 111.063 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.39 13.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 65.43 111.111 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.36 148.96 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 65.25 110.904 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.768 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.18 -32.15 35.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 52.3 112.505 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.06 -47.66 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 73.31 110.887 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.16 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -50.03 48.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 71.41 112.473 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CE1' HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -67.39 -47.39 70.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 72.33 110.92 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.69 -35.69 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.34 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.92 -27.93 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.931 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.21 111.119 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.69 -29.56 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 -26.94 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 71.51 111.113 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -104.69 -34.83 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.116 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.99 86.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.41 111.053 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.734 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 29.7 m-85 -88.02 -179.87 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.937 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -87.93 -32.78 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.913 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 tt -143.78 127.29 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.902 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.648 ' O ' HD22 ' A' ' 51' ' ' LEU . 26.2 t -112.6 148.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.152 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.7 mm? -135.73 114.01 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.94 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 82' ' ' LEU . 6.3 t -130.86 144.58 51.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.153 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' OD1' HD13 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -84.57 165.85 17.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 64.43 110.858 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -151.25 99.96 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 64.44 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -135.86 66.04 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 70.34 110.89 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.9 mtt 59.38 69.0 1.4 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 75.03 110.933 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.89 68.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 60.22 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -125.61 -39.49 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 70.44 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -142.52 56.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.925 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t -115.34 171.18 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 62.31 110.851 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.94 35.51 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 61.43 112.514 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.95 -26.74 48.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.739 0.304 . . . . 74.3 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.41 -26.72 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.85 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -49.79 -30.1 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 41.44 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.455 ' HB ' ' HB1' ' A' ' 97' ' ' ALA . 49.9 mt -47.99 -35.54 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.52 111.09 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.19 77.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 43.52 111.098 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.19 -36.06 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 52.33 111.095 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 39' ' ' PHE . 8.3 mp -73.15 -35.27 66.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 65.22 110.908 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.86 -51.03 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.05 -35.22 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.887 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.85 153.77 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -95.79 33.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.83 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.99 -32.3 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.31 111.085 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -111.87 -22.63 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.35 110.934 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.11 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 62.5 111.05 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.54 -34.84 46.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 48' ' ' ASP . 30.0 m -59.56 133.06 88.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.571 0.7 . . . . 73.33 111.159 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 136.66 33.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.691 2.261 . . . . 71.35 112.367 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 38.9 mm -128.72 128.68 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 71.23 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -123.92 118.57 27.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.41 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 102' ' ' TRP . 13.6 p -103.88 134.07 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.088 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.471 HD22 ' HE2' ' A' ' 105' ' ' LYS . 0.7 OUTLIER -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 72.54 110.91 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.71 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 10.1 t -152.45 162.17 41.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.158 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t -103.88 -34.73 8.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 71.32 111.147 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.59 118.92 37.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.943 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.24 55.17 4.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 73.55 112.512 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 142.05 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 71.54 110.847 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.15 -36.52 82.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.866 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.37 93.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 62.01 111.093 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.02 -38.22 85.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.21 110.925 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -52.07 -36.69 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 73.1 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.69 -35.14 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 61.12 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -61.25 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 73.12 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.47 -44.69 62.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 43.34 111.065 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -69.24 -35.73 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.94 -41.77 92.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 73.2 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 65' ' ' ILE . . . -66.1 -36.51 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.15 38.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 73.14 112.459 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.84 139.02 35.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.381 . . . . 72.52 111.068 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -51.58 -64.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 44.4 111.131 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.87 174.89 30.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 74.4 112.524 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.71 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.33 164.85 28.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.801 0.334 . . . . 75.02 110.93 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 pp -144.13 160.29 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 50.4 111.096 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.68 129.45 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 52.43 110.871 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.74 160.02 83.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 51.02 110.893 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.78 161.82 85.46 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 -1.805 . . . . 74.04 112.349 -0.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.6 mm -113.05 137.4 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.44 111.15 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.67 152.07 59.41 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 74.04 110.896 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.54 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.79 -34.75 13.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 53.31 112.325 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.82 -38.07 60.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 34.31 112.511 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.18 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 65.53 111.124 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.698 HD22 HD22 ' A' ' 18' ' ' LEU . 9.0 tp -51.5 -38.29 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.877 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.555 ' CG2' HG22 ' A' ' 21' ' ' THR . 96.3 t -75.98 -28.68 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 62.42 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -69.27 -45.43 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.86 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.32 -38.84 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.533 HG23 HD12 ' A' ' 49' ' ' LEU . 11.4 p -84.48 -32.57 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.34 111.089 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.5 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 44.25 111.09 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.0 t -50.65 -32.67 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.51 111.157 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.53 -35.53 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.931 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -59.51 -43.24 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 62.35 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -106.03 154.9 39.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.685 0.755 . . . . 75.32 110.86 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -171.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 60.03 112.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.39 148.42 27.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.22 111.107 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -161.95 -45.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 51.33 111.083 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.881 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.722 0.296 . . . . 72.43 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.538 HG23 ' CB ' ' A' ' 48' ' ' ASP . 89.0 mt -51.56 146.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 73.55 111.105 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -122.54 -35.64 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.2 p -143.43 157.45 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.132 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.9 mt -145.3 148.31 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 47' ' ' TYR . 1.3 tt -132.74 135.11 45.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.925 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -133.36 156.62 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.032 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG21 ' N ' ' A' ' 35' ' ' GLY . 3.8 mp -140.59 108.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 71.34 111.141 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.36 168.71 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.27 -58.22 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 63.54 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -54.46 128.7 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 54.14 110.87 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.1 111.115 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -62.69 -38.99 92.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.23 111.155 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.67 -47.99 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 52.52 110.894 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -52.01 -37.14 52.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.97 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.076 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -54.07 -62.16 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 112' ' ' LEU . 27.0 mt -58.11 -35.83 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.895 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -64.63 -36.15 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.868 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.5 -37.67 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 41.32 111.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.616 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -51.84 -61.39 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.153 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD21 HG11 ' A' ' 116' ' ' VAL . 13.6 mt -66.74 -36.58 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.97 -52.86 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 31.42 111.109 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.12 -34.45 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.917 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.86 -20.58 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 63.14 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.39 -33.54 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 62.41 112.452 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -54.28 153.86 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 74.15 110.882 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -96.64 78.21 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.41 110.926 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.6 p -84.36 136.31 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 73.51 111.133 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.7 m -133.22 144.43 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 54.23 111.14 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 m -111.23 139.51 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.88 -175.97 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 63.34 111.105 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -44.32 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.085 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' C ' HG21 ' A' ' 8' ' ' ILE . 6.2 m-20 -149.81 177.49 9.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 64.55 110.899 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -58.24 -33.04 68.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 24.54 112.513 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.2 -48.16 30.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 74.14 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.75 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.09 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.68 -51.41 6.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 55.34 112.521 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CE2' HD13 ' A' ' 62' ' ' LEU . 2.8 m-85 -62.27 -41.44 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 65.02 110.861 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.21 -44.36 83.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.8 -35.06 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 60.31 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.24 37.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 53.04 111.058 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.93 -29.55 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 54.13 111.122 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.56 -27.78 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 52.45 111.126 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -101.43 -35.19 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.05 111.133 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.13 84.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.35 111.097 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.611 ' CE1' HD12 ' A' ' 6' ' ' LEU . 59.3 m-85 -86.12 169.78 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.927 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -81.04 -35.35 31.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.879 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.893 HD12 HG23 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -139.3 137.28 35.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 62.3 110.947 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 51' ' ' LEU . 76.5 t -124.39 139.63 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.42 111.137 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.0 mm? -124.51 109.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.946 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.717 HG23 HG23 ' A' ' 81' ' ' VAL . 6.9 t -120.57 162.55 19.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.125 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -131.43 158.65 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.32 150.09 21.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.935 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -166.93 114.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 55.42 110.872 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.31 160.7 0.12 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.498 0.666 . . . . 75.2 110.903 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.26 11.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 72.2 112.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -85.37 125.72 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 63.03 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.91 176.46 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 p -121.72 -49.07 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 62.11 110.855 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.43 32.87 2.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 74.45 112.42 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 39' ' ' PHE . 4.0 mm? -86.86 -35.07 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 74.14 110.927 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.71 -30.19 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 62.25 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -49.47 -33.91 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.88 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.5 mt -49.96 -40.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 71.32 111.16 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.6 81.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 54.03 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.69 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.082 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 74' ' ' TYR . 10.3 mp -79.81 -34.99 39.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 44.4 110.912 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.4 ttt180 -65.72 -48.37 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.882 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.79 -34.52 65.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.03 156.98 38.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.45 35.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.41 -32.32 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 70.02 111.128 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.8 m-85 -111.14 -24.73 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 73.25 110.929 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -48.28 -38.34 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 54.21 111.078 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.92 -35.26 57.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 48' ' ' ASP . 78.3 m -53.86 125.61 47.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.588 0.709 . . . . 73.13 111.128 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.509 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.7 Cg_endo -69.75 91.0 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.698 2.265 . . . . 72.53 112.373 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.8 mm -81.35 136.2 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 79' ' ' ILE . 25.0 mt -128.68 115.06 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.931 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.717 HG23 HG23 ' A' ' 52' ' ' THR . 11.2 p -107.55 147.72 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 72.14 111.085 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 105' ' ' LYS . 5.2 mp -96.59 151.12 19.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.943 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.602 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 13.9 t -134.97 165.37 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.164 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.526 HG22 ' NZ ' ' A' ' 105' ' ' LYS . 70.5 p -96.66 -51.11 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 73.14 111.135 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -104.83 136.67 43.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.12 4.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 62.43 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -99.72 146.02 27.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 55.31 110.893 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.43 -36.44 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.85 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.08 -35.92 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 64.43 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.75 -37.48 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.903 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -51.95 -35.73 47.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 62.23 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.23 74.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 52.42 111.103 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.2 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.066 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.82 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 61.04 111.037 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -75.43 -35.85 60.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.79 -37.41 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 61.44 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.7 81.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.53 111.083 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.18 33.48 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 64.32 112.477 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.43 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 42.34 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -90.11 -59.34 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 65.52 111.113 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.93 169.96 23.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 53.23 112.474 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.602 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.52 164.3 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 75.13 110.949 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.08 169.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 64.23 111.137 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.46 115.33 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.526 ' NZ ' HG22 ' A' ' 84' ' ' THR . 3.9 pttm -77.52 157.57 79.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 52.23 110.922 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 175.69 35.55 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 -1.8 . . . . 71.45 112.328 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.425 ' CG1' HD21 ' A' ' 82' ' ' LEU . 28.9 mm -114.28 148.14 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 71.3 111.141 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.93 159.2 34.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 65.42 110.859 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.77 -33.03 17.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 74.12 112.39 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.95 -33.37 41.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 73.14 112.517 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 115' ' ' LEU . 92.1 t -79.77 -31.25 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.04 111.109 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.697 ' CD1' HD22 ' A' ' 18' ' ' LEU . 7.1 tt -72.0 -33.62 68.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 70.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.616 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.5 t -79.88 -43.2 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 61.43 111.161 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -32.18 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.846 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.408 HD12 HG12 ' A' ' 111' ' ' VAL . 15.9 mt -69.04 -39.27 79.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.933 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.893 HG23 HD12 ' A' ' 49' ' ' LEU . 9.8 p -82.14 -33.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.162 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.05 -55.21 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.096 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.7 -35.5 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.105 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 78' ' ' PRO . 28.5 mt -73.19 -39.41 65.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 50.55 110.967 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -36.05 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 61.45 110.832 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -82.81 160.27 61.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 62.14 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.249 . . . . 50.42 112.337 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.04 143.38 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 71.34 111.146 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -167.88 44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 53.31 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.884 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.707 0.289 . . . . 73.22 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.35 106.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 45.42 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -93.97 -50.39 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.856 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.26 166.34 24.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 72.04 111.113 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 49' ' ' LEU . 42.3 mt -145.44 149.19 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.04 111.138 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 30' ' ' THR . 29.3 tp -132.03 130.94 42.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.48 119.09 23.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.21 111.069 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.744 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.6 mp -109.69 108.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 63.2 111.152 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.97 171.97 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 62.12 110.837 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -104.41 -40.12 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -71.93 118.61 15.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.885 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.95 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.13 111.104 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -64.21 -44.56 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 71.05 111.159 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -65.89 -50.11 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.909 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -51.88 -35.93 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.882 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.24 -37.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.53 111.122 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.97 -61.03 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.643 HD22 HD13 ' A' ' 112' ' ' LEU . 17.2 mt -59.97 -35.59 75.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.939 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -66.7 -39.07 87.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.88 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.061 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.527 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.2 m -51.46 -39.01 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 71.34 111.142 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.628 ' HB2' HG11 ' A' ' 29' ' ' VAL . 45.3 mt -83.68 -36.89 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.92 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.6 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.31 111.089 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -57.8 -33.75 68.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 63.13 110.946 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -20.82 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.076 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.63 -31.88 6.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 72.31 112.506 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.51 154.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 72.23 110.949 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.58 76.22 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 63.2 110.905 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.628 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.7 p -88.12 143.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 62.44 111.135 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 6' ' ' LEU . 27.5 m -141.94 149.12 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 63.31 111.128 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.99 138.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 42.53 111.098 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.26 -178.27 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.148 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.88 -35.79 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 72.51 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -152.19 160.13 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.884 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.744 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.14 -32.63 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 74.1 112.511 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.42 -52.29 23.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 41.23 110.906 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.96 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 52.15 111.089 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.59 -49.35 44.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 51.01 112.533 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE2' HG21 ' A' ' 52' ' ' THR . 0.8 OUTLIER -66.96 -48.91 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 61.2 110.892 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -51.77 -40.91 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.9 -33.35 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -26.25 27.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 54.34 111.103 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.88 26.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.123 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.53 -27.62 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 75.54 111.158 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.1 m -102.85 -36.31 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.25 111.114 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.1 78.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.034 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.499 ' CZ ' HG21 ' A' ' 45' ' ' THR . 89.1 m-85 -82.6 166.85 18.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.428 . . . . 63.01 110.886 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -81.14 -34.87 32.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 74.13 110.894 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -143.49 123.41 13.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 62.2 110.921 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.53 145.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 65.25 111.111 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.97 110.73 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 62.52 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.455 HG21 ' CE2' ' A' ' 39' ' ' PHE . 6.5 t -115.87 162.73 16.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 64.25 111.148 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -90.45 -169.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.906 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.07 177.84 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 75.15 110.912 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 51.81 59.53 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 75.2 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mmt -113.63 157.82 40.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 72.31 110.881 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 169.85 17.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 64.05 112.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -57.08 -36.24 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 80.7 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 71.03 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -156.86 173.16 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.86 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.64 7.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.725 . . . . 43.54 112.463 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -85.62 -35.04 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 75.2 110.9 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -51.67 -32.56 30.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.85 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.02 -33.1 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 54.53 110.907 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.38 -40.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.21 111.138 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.81 -39.83 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 55.43 111.105 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.615 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -75.25 -35.23 61.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 71.13 111.046 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.98 -33.33 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -67.62 -46.54 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.96 -35.69 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 67' ' ' ALA . 3.3 mt -70.01 146.03 51.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 63.23 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.9 t -95.57 34.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.22 -33.02 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.02 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.53 -26.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.91 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.26 -38.3 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 64.15 111.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.72 -35.56 57.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 48' ' ' ASP . 99.2 m -52.29 126.38 36.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.541 0.686 . . . . 73.13 111.14 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.631 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.7 Cg_endo -69.77 89.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 63.04 112.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -83.08 114.68 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.13 111.149 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.73 123.41 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.21 110.875 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.38 141.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 64.24 111.122 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 83' ' ' THR . 0.3 OUTLIER -83.44 151.33 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 63.54 110.907 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 103' ' ' ILE . 11.4 t -149.45 162.36 40.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 51.41 111.11 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.5 p -122.61 -34.79 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 63.02 111.11 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.99 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.1 41.95 4.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 74.43 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 51.3 110.861 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.36 -35.47 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 71.44 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.04 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.118 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -38.04 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.851 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -51.78 -35.62 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 74.22 110.891 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.99 82.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.41 111.106 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.11 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.44 111.062 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.67 -50.09 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 61.3 111.039 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.878 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.06 -43.33 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.124 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.89 36.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 74.12 112.475 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.29 163.03 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 64.41 111.092 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -86.67 -63.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.105 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.02 13.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 53.05 112.5 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.641 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.75 168.96 18.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 74.12 110.907 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.727 ' O ' HG22 ' A' ' 83' ' ' THR . 0.5 OUTLIER -151.03 159.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.121 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -112.99 117.77 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.875 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 mptt -75.22 159.3 82.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 75.23 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 166.2 74.64 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.664 -1.807 . . . . 75.45 112.393 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.404 HD11 ' HB ' ' A' ' 103' ' ' ILE . 36.3 mm -108.8 138.72 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 61.32 111.13 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.0 156.1 42.59 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.625 0.726 . . . . 74.5 110.843 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.503 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.79 -33.74 15.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 72.22 112.323 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.26 -33.31 64.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 61.12 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.89 -42.26 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 72.44 111.109 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.643 HD13 HD22 ' A' ' 18' ' ' LEU . 7.3 tp -61.65 -37.27 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.908 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.527 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.1 t -80.03 -28.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.31 111.108 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.33 -43.79 63.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 61.45 110.914 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 49' ' ' LEU . 1.3 pp -62.3 -34.52 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 73.05 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.2 p -84.6 -34.13 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.153 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.3 -53.96 30.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.08 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -51.69 -34.87 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 51.55 111.165 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 78' ' ' PRO . 13.5 mt -74.48 -46.95 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.95 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -61.0 -37.03 81.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 65.23 110.879 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -84.83 153.7 60.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 73.23 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.76 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.656 2.237 . . . . 64.12 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 143.52 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.133 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.46 43.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 71.14 111.151 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 70.1 110.897 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 72.21 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.408 HD13 ' OD1' ' A' ' 48' ' ' ASP . 47.3 mm -62.44 105.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.52 111.113 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -94.55 -45.57 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.881 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -141.04 161.56 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.139 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' CD1' HD22 ' A' ' 22' ' ' LEU . 60.5 mt -142.17 144.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.111 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.766 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -123.39 131.21 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.946 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.611 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -130.91 152.4 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 63.24 111.089 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 6' ' ' LEU . 4.8 mp -140.72 121.02 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 55.1 111.112 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.61 171.66 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 75.2 110.848 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -110.2 -37.71 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -72.72 119.93 17.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.814 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -38.16 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.112 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.42 111.133 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.7 mmt -70.69 -46.44 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -58.71 -36.85 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.04 -46.26 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 64.23 111.079 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.2 tm? -56.33 -62.2 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 64.04 110.953 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.52 -46.84 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.896 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -57.55 -39.07 75.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 71.51 110.857 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -38.34 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 45.12 111.088 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.0 OUTLIER -53.77 -51.61 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.24 111.126 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 5' ' ' ILE . 20.2 mt -76.23 -36.94 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.66 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 54.43 111.041 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -55.64 -34.71 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.59 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 70.5 111.096 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.57 -35.78 4.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 55.21 112.53 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.98 154.82 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 73.12 110.914 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -98.32 86.56 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -97.24 143.63 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.145 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -134.31 141.1 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.83 139.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.098 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' A' ' 8' ' ' ILE . . . -97.41 179.88 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 64.42 111.097 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.0 -35.99 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 71.54 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.72 159.04 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.648 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.04 -32.75 35.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 74.15 112.487 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.26 -46.12 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.22 110.939 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.25 74.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.22 111.13 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.38 -51.27 13.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 62.13 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 3.6 m-85 -64.85 -49.76 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 74.14 110.861 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -52.13 -42.82 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -76.89 -34.66 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.75 -25.86 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.108 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.72 -28.87 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 62.11 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -27.93 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 51.43 111.152 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.49 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 4.6 m -101.47 -36.3 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.22 111.144 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.11 72.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 62.2 111.132 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.766 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 88.1 m-85 -74.42 172.79 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.935 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 77' ' ' THR . 0.7 OUTLIER -83.15 -35.16 25.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 71.52 110.842 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.921 HD21 HD23 ' A' ' 80' ' ' LEU . 1.6 tt -141.56 130.62 23.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.949 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.625 ' O ' HD22 ' A' ' 51' ' ' LEU . 23.5 t -111.45 148.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 63.41 111.15 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -139.62 119.6 13.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 64.31 110.937 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.909 HG23 HG23 ' A' ' 81' ' ' VAL . 3.0 t -126.09 151.18 47.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.13 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -126.89 -40.37 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.858 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -64.09 132.21 49.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 54.12 110.902 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -130.34 41.41 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.51 110.923 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.0 ttm -85.92 137.4 35.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 74.31 110.873 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 113.49 3.4 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 43.11 112.339 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -137.17 168.13 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.873 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -36.04 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.913 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -134.38 154.52 51.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.845 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.32 -86.57 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.33 112.484 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 mp -74.91 -35.38 62.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 72.24 110.927 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.708 ' OE2' HD22 ' A' ' 64' ' ' LEU . 1.9 pp20? -51.2 -31.36 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 64.4 110.836 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.708 HD22 ' OE2' ' A' ' 63' ' ' GLU . 2.7 mm? -50.46 -33.09 19.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 39' ' ' PHE . 47.0 mt -50.57 -35.09 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.43 111.113 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.0 -54.19 26.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.071 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -60.43 -33.68 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 63.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.84 -34.23 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.97 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -66.66 -43.38 84.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.89 -35.09 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 61.21 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 67' ' ' ALA . 3.1 mt -68.92 147.06 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 m -95.75 34.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.25 110.825 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.3 -32.75 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 50.21 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.77 -25.29 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.1 110.908 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.42 -38.52 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.33 111.129 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.99 -35.34 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 63.42 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP . 91.5 m -56.93 126.11 71.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.608 0.718 . . . . 72.42 111.184 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.723 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.2 Cg_endo -69.76 109.95 2.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 73.45 112.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.63 ' O ' HD13 ' A' ' 80' ' ' LEU . 48.7 mm -97.48 127.83 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.163 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.921 HD23 HD21 ' A' ' 49' ' ' LEU . 1.2 mm? -122.96 113.97 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.943 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 52' ' ' THR . 13.2 p -107.39 148.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 50.13 111.147 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 51' ' ' LEU . 5.7 mp -98.3 151.28 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 61.43 110.931 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.9 t -130.31 156.39 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.173 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.9 p -87.54 -36.36 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.172 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.91 144.3 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.29 55.25 5.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.514 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -91.94 144.91 24.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 73.53 110.911 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.87 -36.75 83.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 53.14 110.918 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.31 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.11 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.44 -41.2 89.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.841 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -51.88 -35.9 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.15 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.33 -61.23 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.09 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.62 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 63.45 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -67.91 -35.56 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.885 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.08 -44.13 97.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 41.45 110.883 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.43 84.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.066 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.7 42.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 53.13 112.516 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.84 143.95 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.03 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.1 m -73.58 -58.98 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.105 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.39 168.66 24.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 71.04 112.462 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.69 165.94 25.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 74.51 110.958 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.682 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.0 169.78 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 70.05 111.114 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.76 107.14 17.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 60.42 110.855 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.5 159.48 77.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 72.05 110.877 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 171.84 51.65 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.794 . . . . 65.31 112.366 -0.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.3 mm -116.03 144.37 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 65.4 111.152 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.98 157.94 38.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 64.44 110.889 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.1 Cg_endo -69.74 -32.79 17.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 60.45 112.351 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.97 60.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.472 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.43 -38.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 71.35 111.087 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 112' ' ' LEU . 3.1 tm? -63.29 -52.88 60.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 63.42 110.953 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.551 ' CG2' HG22 ' A' ' 21' ' ' THR . 97.6 t -60.48 -35.1 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.05 111.146 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.43 -35.89 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.841 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.28 -36.3 81.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.656 HG23 HD12 ' A' ' 49' ' ' LEU . 9.9 p -84.17 -34.68 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.108 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.23 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 43.33 111.077 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 t -51.54 -35.23 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.088 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.723 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.7 mt -79.29 -36.12 40.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.9 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t -64.99 -39.46 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -102.45 155.87 35.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 74.21 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -171.32 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 61.43 112.353 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.66 145.67 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 52.32 111.1 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -162.55 45.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 52.33 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.6 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 45.12 110.858 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.776 0.322 . . . . 65.14 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.487 HG13 HG12 ' A' ' 116' ' ' VAL . 44.9 mm -51.94 116.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 64.51 111.134 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.6 OUTLIER -102.06 -43.67 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.922 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.512 HG23 ' HD2' ' A' ' 3' ' ' ARG . 70.2 p -143.67 167.62 21.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.1 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.673 HD13 HD13 ' A' ' 22' ' ' LEU . 79.6 mt -142.19 144.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.095 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.698 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -126.91 131.62 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.937 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.608 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -139.56 148.82 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.139 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.727 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.4 mp -140.12 131.25 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 52.32 111.087 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -161.01 169.4 22.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 70.51 110.865 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.97 -49.74 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.888 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -54.14 104.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.881 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.86 65.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.053 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -61.67 -35.91 79.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.132 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.409 ' HE2' HD11 ' A' ' 18' ' ' LEU . 12.5 tpt -65.15 -55.1 20.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.908 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -52.71 -36.32 57.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.44 -39.08 85.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.116 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.64 -55.53 17.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.925 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.651 HD22 ' CD1' ' A' ' 112' ' ' LEU . 15.3 mt -60.81 -35.47 76.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.945 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.87 -42.18 77.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.831 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.73 -46.78 57.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.53 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 113' ' ' VAL . 25.2 m -50.99 -40.92 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.24 111.132 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 5' ' ' ILE . 15.8 mt -84.85 -34.86 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.946 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -51.02 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.24 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -55.08 -36.3 65.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -20.95 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 60.12 111.084 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.97 -31.24 6.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 51.23 112.495 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -50.64 152.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 63.32 110.941 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -103.0 92.8 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 22' ' ' LEU . 4.2 t -89.67 158.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 71.35 111.151 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.573 ' O ' HD22 ' A' ' 6' ' ' LEU . 92.6 m -146.68 109.8 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 62.44 111.172 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.48 138.59 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.114 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.47 -175.73 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.25 111.095 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -35.06 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.098 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -140.97 161.37 37.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.4 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.727 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -60.58 -32.85 79.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.484 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -69.3 -48.95 60.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 72.11 110.893 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.51 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.062 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.48 -43.89 23.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 43.13 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.5 -44.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 74.21 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -51.73 -35.46 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 54.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -84.55 -33.33 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.11 -26.18 26.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 53.22 111.071 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.93 -28.26 26.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 62.34 111.077 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.19 -27.88 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -101.86 -35.49 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 62.22 111.172 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.97 71.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 54.7 m-85 -68.87 176.06 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.937 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.433 ' OD1' HD13 ' A' ' 2' ' ' ILE . 0.8 OUTLIER -87.89 -34.32 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.868 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.832 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -142.89 123.96 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.922 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.625 ' HB ' HD12 ' A' ' 79' ' ' ILE . 41.3 t -113.31 147.64 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.101 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.54 ' CD2' HD11 ' A' ' 82' ' ' LEU . 3.1 tp -132.07 144.93 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 61.24 110.909 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.936 HG23 HG23 ' A' ' 81' ' ' VAL . 1.9 t -143.19 135.45 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 53.43 111.197 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' HB3' HD13 ' A' ' 82' ' ' LEU . 16.7 p-10 -108.48 52.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.32 110.856 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -106.34 133.07 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.94 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -71.3 -42.49 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.31 110.854 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 ttm -135.31 68.67 68.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 70.42 110.858 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 54.31 112.346 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -123.02 -36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.876 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -147.57 -170.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.895 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 63.61 52.81 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.43 -36.01 3.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 63.24 112.49 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.17 -33.22 74.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 74.23 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -51.63 -29.21 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.867 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -48.59 -34.65 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.613 ' HA ' HD12 ' A' ' 68' ' ' LEU . 81.1 mt -50.72 -42.83 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 62.41 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.95 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.23 111.113 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.14 73.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.22 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 65' ' ' ILE . 3.1 mt -78.46 -34.25 47.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 51.12 110.95 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -63.21 -50.63 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -56.0 -35.41 66.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.67 153.43 42.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 65.13 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.9 t -95.53 34.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 53.31 110.837 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.82 -31.91 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 44.52 111.069 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -112.38 -24.38 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.916 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.55 -36.4 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.6 -34.64 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.854 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.406 HG23 ' HD2' ' A' ' 78' ' ' PRO . 49.9 m -55.37 133.03 70.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.558 0.694 . . . . 70.32 111.111 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.742 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.8 Cg_endo -69.76 130.46 19.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 72.13 112.345 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' A' ' 50' ' ' VAL . 48.2 mm -129.87 125.79 61.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.17 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.832 HD23 HD21 ' A' ' 49' ' ' LEU . 2.9 mm? -117.82 120.58 38.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 65.5 110.93 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.936 HG23 HG23 ' A' ' 52' ' ' THR . 13.6 p -104.41 132.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.119 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 52' ' ' THR . 1.6 mp -84.36 151.98 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 71.34 110.938 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.748 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 9.9 t -146.09 156.56 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.126 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.5 p -109.47 -35.56 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.53 111.161 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.99 -74.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.54 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.63 40.68 3.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.506 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.57 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 72.42 110.852 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.1 -45.4 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.886 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.82 -38.04 54.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.12 111.108 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.65 -44.93 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.63 -35.92 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 71.11 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.05 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.52 111.081 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.34 -59.99 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 62.51 111.095 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.99 64.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.095 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -65.04 -35.24 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.846 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.881 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.35 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.125 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.24 33.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 55.24 112.507 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 134.49 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 63.22 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.5 m -53.93 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 74.24 111.169 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.97 -179.93 16.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 65.33 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.748 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.07 169.69 17.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 72.34 110.931 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.706 ' O ' HG22 ' A' ' 83' ' ' THR . 0.7 OUTLIER -149.8 162.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.14 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.38 136.18 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.648 ' CE ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -82.98 160.98 59.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 73.23 110.9 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.74 176.38 32.77 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 -1.809 . . . . 75.11 112.367 -0.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mm -112.89 138.02 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 55.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.82 154.6 39.81 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.642 0.734 . . . . 73.13 110.845 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.35 22.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 74.43 112.332 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -37.26 47.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 62.03 112.486 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.04 -46.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 74.13 111.108 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.651 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.9 tt -54.1 -55.65 25.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.949 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 21' ' ' THR . 85.8 t -61.09 -48.9 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.126 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -54.86 -39.92 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.26 -35.05 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.22 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.748 HG22 ' CD1' ' A' ' 49' ' ' LEU . 19.9 t -84.4 -35.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.4 -54.35 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.52 111.092 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.28 -34.58 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 71.11 111.135 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.742 HD13 ' HG3' ' A' ' 78' ' ' PRO . 12.8 mt -77.6 -35.91 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 p -63.95 -36.71 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 24.43 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.91 155.87 36.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 74.04 110.92 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -173.71 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.23 . . . . 63.32 112.389 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.22 160.9 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 74.31 111.133 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -169.95 -63.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 62.11 111.098 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.921 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 ttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 64.41 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.07 113.74 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 72.15 111.123 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -89.7 -44.56 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.864 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.8 p -152.07 172.98 15.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.134 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.611 ' CD1' HD22 ' A' ' 22' ' ' LEU . 55.6 mt -142.75 148.73 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.129 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 HG13 ' A' ' 50' ' ' VAL . 11.0 tp -129.4 119.1 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 71.32 110.875 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -127.39 115.32 18.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.22 111.075 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.643 HG21 ' C ' ' A' ' 34' ' ' ASP . 3.6 mp -108.96 134.48 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.22 111.121 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -157.03 154.5 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 62.25 110.839 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.96 -42.39 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.832 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.67 112.69 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.874 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -35.57 44.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 35.34 111.107 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -64.91 -43.69 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 53.53 111.085 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 ttp -69.36 -49.66 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 62.4 110.89 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -51.87 -38.24 55.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.903 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.08 -44.2 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.066 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -52.41 -62.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 65.51 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.836 HD22 HD22 ' A' ' 112' ' ' LEU . 22.1 mt -58.84 -46.7 87.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.904 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -52.0 -43.85 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.843 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.22 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.098 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.522 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.2 m -51.13 -52.97 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.172 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.722 HD21 HG11 ' A' ' 116' ' ' VAL . 3.1 mt -78.4 -40.65 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -49.41 61.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 41.42 111.128 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -64.52 -32.49 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 62.24 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -20.85 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.4 -41.04 1.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 41.32 112.486 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' HD23 ' A' ' 22' ' ' LEU . 46.8 m-85 -51.87 154.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 73.34 110.899 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -104.6 104.43 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 40.33 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 22' ' ' LEU . 2.8 t -98.74 161.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 62.2 111.145 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -150.85 115.46 5.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.16 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 7' ' ' ALA . 17.3 m -95.35 138.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.42 111.158 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.12 -175.79 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 62.11 111.107 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.28 -35.09 59.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.096 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.643 ' C ' HG21 ' A' ' 8' ' ' ILE . 10.4 t70 -154.68 168.08 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 65.34 110.876 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.538 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -59.65 -32.3 73.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 53.23 112.497 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.89 -47.75 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 72.24 110.918 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.72 -49.75 28.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 45.42 112.439 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.488 ' HB3' HD21 ' A' ' 64' ' ' LEU . 1.3 m-85 -63.88 -48.69 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 53.32 110.853 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -51.08 -35.79 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.35 -31.02 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 62.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.89 -25.17 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 61.3 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.65 -26.1 30.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.129 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -28.04 19.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.436 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.9 m -100.98 -36.93 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.179 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.12 80.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.088 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' CZ ' HG21 ' A' ' 45' ' ' THR . 70.4 m-85 -82.56 -177.87 6.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.923 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.41 -31.86 11.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.43 110.879 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.831 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -143.78 124.47 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.15 110.906 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG13 HD23 ' A' ' 6' ' ' LEU . 21.6 t -119.65 140.83 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 55.23 111.145 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 8' ' ' ILE . 9.4 mt -131.73 130.94 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 42.13 110.885 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.44 HG23 HG23 ' A' ' 81' ' ' VAL . 9.6 t -131.97 162.71 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.53 111.118 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -156.93 114.22 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.856 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -175.36 156.57 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 62.3 110.908 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.46 160.57 30.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.54 110.883 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.5 tpp -118.27 67.82 6.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 75.22 110.872 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.02 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 34.12 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.33 -176.3 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.9 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -52.39 113.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.889 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.5 p -127.9 -172.33 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.832 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.464 ' O ' HD23 ' A' ' 64' ' ' LEU . . . -65.73 -31.5 80.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 70.23 112.482 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.2 mm? -50.24 -31.37 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.2 110.93 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -28.18 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 39' ' ' PHE . 4.0 pp -49.72 -31.05 10.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.893 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.503 HD11 ' CD1' ' A' ' 62' ' ' LEU . 45.4 mt -47.54 -35.05 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.5 111.094 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.31 -47.66 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.15 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 -34.21 72.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 54.44 111.118 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 74' ' ' TYR . 2.9 mm? -59.6 -30.93 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 60.13 110.934 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.1 tmt_? -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 51.43 110.868 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.54 25.08 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.918 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -18.05 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t 64.0 29.47 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.31 -34.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.071 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 68' ' ' LEU . 1.9 m-85 -111.75 -22.16 11.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 70.13 110.88 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -48.01 -40.13 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.14 111.109 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -76.7 -33.91 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 61.03 110.907 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.419 HG23 ' HD2' ' A' ' 78' ' ' PRO . 40.5 m -51.07 133.6 30.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 72.23 111.138 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.813 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.89 112.93 3.23 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.646 2.231 . . . . 75.43 112.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 80' ' ' LEU . 39.6 mm -113.28 132.69 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.23 111.114 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.831 HD23 HD21 ' A' ' 49' ' ' LEU . 1.8 mm? -123.3 118.34 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 71.53 110.886 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 102' ' ' TRP . 14.7 p -104.51 133.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 52.42 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 105' ' ' LYS . 5.9 mt -84.31 149.73 25.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 103' ' ' ILE . 1.6 t -126.34 142.04 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.136 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -51.72 -60.83 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.1 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -117.47 -49.28 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.41 50.21 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 72.23 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.99 147.82 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 61.22 110.883 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.65 -36.57 84.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.854 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.8 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 64.14 111.137 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.91 -36.51 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 61.45 110.925 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -51.77 -36.9 49.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 73.43 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.89 -35.53 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 43.25 111.098 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -60.07 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.093 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -47.69 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 53.55 111.141 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -65.97 -35.56 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.875 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.67 -41.97 87.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 65.53 111.119 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.99 33.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 62.35 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.55 143.9 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 70.02 111.074 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.9 m -57.19 -73.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 74.1 111.127 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.79 178.6 18.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 64.53 112.461 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.454 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.78 164.08 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 73.25 110.916 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.661 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.55 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 62.41 111.107 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.78 142.52 34.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 54.22 110.881 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.772 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -101.1 161.43 23.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.525 0.678 . . . . 75.03 110.922 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 175.42 36.5 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 -1.793 . . . . 75.4 112.339 -0.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.45 ' CG1' HD21 ' A' ' 82' ' ' LEU . 27.3 mm -115.99 140.53 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 53.54 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.55 154.99 73.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 72.45 110.845 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.79 -33.29 16.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 65.14 112.343 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -42.94 32.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 64.44 112.495 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.52 -50.11 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 55.11 111.138 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.836 HD22 HD22 ' A' ' 18' ' ' LEU . 33.1 tp -51.73 -51.02 59.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.935 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 109' ' ' PRO . 94.9 t -60.84 -34.26 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.2 111.144 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.83 -37.43 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 63.2 110.881 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.722 HG11 HD21 ' A' ' 22' ' ' LEU . 8.9 p -84.43 -33.81 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.111 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -54.11 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 21.31 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.46 -34.64 36.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 54.32 111.137 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.813 HD13 ' HG3' ' A' ' 78' ' ' PRO . 11.0 mt -79.13 -35.93 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 63.11 110.924 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -61.04 -36.92 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.833 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -102.65 155.9 35.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 73.24 110.831 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.0 22.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 74.01 112.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -113.65 -172.02 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 73.55 111.135 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.9 40.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 61.43 111.13 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.895 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.742 0.306 . . . . 64.22 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.461 HG21 HD11 ' A' ' 5' ' ' ILE . 50.3 mm -64.2 105.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.02 111.161 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -42.47 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 62.01 110.826 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.3 p -149.18 155.32 40.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.1 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.53 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.8 mt -134.93 146.19 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.156 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.597 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -124.61 129.96 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 54.43 110.923 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.549 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -128.15 125.93 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.086 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.597 HD11 HD12 ' A' ' 6' ' ' LEU . 2.8 mp -123.15 121.47 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 53.31 111.143 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -144.32 167.45 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.884 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -86.87 -53.09 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.869 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -64.93 126.08 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.855 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 52.33 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -57.77 -44.88 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.199 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 18' ' ' LEU . 9.7 ttt -58.69 -55.62 32.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 73.53 110.87 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -54.24 -36.14 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.45 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.72 -41.3 65.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 50.31 111.109 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.35 -59.64 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.911 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 112' ' ' LEU . 33.1 mt -51.6 -36.62 46.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.927 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -63.37 -41.47 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.862 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.07 -42.64 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.147 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.3 m -51.92 -42.99 63.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' HB2' HG11 ' A' ' 29' ' ' VAL . 14.3 mt -84.04 -35.93 23.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.92 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -52.7 64.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.115 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.7 -34.46 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 61.12 110.909 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.6 65.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.26 -34.04 5.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 55.31 112.486 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -51.85 155.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 72.01 110.952 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -97.45 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.9 p -88.04 144.0 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.125 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.0 m -140.92 145.27 35.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 65.34 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.35 140.56 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 64.33 111.131 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.8 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 70.14 111.14 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.18 -35.79 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.22 111.107 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -152.7 166.14 33.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.887 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -53.44 -34.58 49.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 74.35 112.452 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -77.91 -36.85 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 31.05 110.896 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -60.8 -34.89 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.45 111.081 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.68 -47.7 7.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 62.25 112.441 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.89 -47.65 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 63.24 110.907 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.95 -40.05 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.9 -34.28 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.937 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -19.98 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.51 111.085 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.74 -22.7 59.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 73.14 111.118 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.82 -29.38 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 64.43 111.13 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -99.15 -42.93 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.116 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 91.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 61.24 111.107 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -88.41 162.32 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -34.86 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 64.53 110.845 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.4 OUTLIER -141.4 140.49 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.889 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' HB ' HD12 ' A' ' 79' ' ' ILE . 22.3 t -136.71 139.57 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.122 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 80' ' ' LEU . 13.1 tp -127.27 128.95 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.904 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.677 HG23 HG23 ' A' ' 81' ' ' VAL . 2.4 t -113.37 158.53 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 61.11 111.132 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.687 ' HA ' HD12 ' A' ' 82' ' ' LEU . 8.7 p-10 -127.38 -39.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.878 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -58.3 164.68 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 53.2 110.876 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -106.88 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.6 mtm -132.17 73.62 77.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.698 . . . . 75.02 110.901 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -34.43 14.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.242 . . . . 74.32 112.369 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -157.39 -73.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.836 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -157.48 133.86 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.879 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -157.48 -44.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.31 110.872 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.32 -32.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 72.2 112.491 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 HD11 ' A' ' 65' ' ' ILE . 2.7 mm? -51.15 -32.88 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 53.25 110.932 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.85 -28.69 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.01 110.887 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 tp -48.97 -33.08 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.888 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 68' ' ' LEU . 59.1 mt -49.71 -39.69 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 61.34 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.87 -42.33 75.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 65.55 111.115 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' HD23 ' A' ' 71' ' ' LEU . . . -61.09 -35.33 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.44 111.097 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 65' ' ' ILE . 5.7 mt -76.67 -27.09 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.11 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.86 24.32 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.52 110.972 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -100.31 -21.92 15.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 60.25 110.872 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t 64.36 29.67 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 45.11 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.51 -35.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 74.43 111.115 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -111.47 -25.56 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.858 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.83 -36.12 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 74.55 111.091 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.7 -33.48 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 53.22 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.466 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.0 m -50.76 134.15 27.61 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.592 0.711 . . . . 54.05 111.149 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.76 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.76 105.7 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.751 2.3 . . . . 72.45 112.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.587 ' O ' HD13 ' A' ' 80' ' ' LEU . 47.4 mm -110.11 135.61 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.112 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 79' ' ' ILE . 1.5 mm? -122.74 119.92 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 62.41 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.677 HG23 HG23 ' A' ' 52' ' ' THR . 7.2 p -104.48 142.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.102 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 105' ' ' LYS . 17.6 mt -84.08 149.94 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.588 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 10.1 t -139.28 164.4 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 63.44 111.162 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.6 p -99.66 -35.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 70.34 111.095 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -128.53 142.97 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.25 55.11 4.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 45.32 112.501 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.78 147.28 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 62.12 110.878 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.11 -36.67 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 71.0 110.83 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.9 -37.0 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 62.21 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.1 -42.27 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 75.51 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -52.04 -36.02 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 62.35 110.88 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.66 80.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 72.32 111.056 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.21 -60.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 72.4 111.073 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.486 ' HB2' HG11 ' A' ' 81' ' ' VAL . . . -53.66 -42.87 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 54.22 111.046 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -67.73 -36.08 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 53.11 110.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -70.55 -40.74 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.46 87.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 64.52 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.16 33.68 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 71.32 112.467 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.2 141.98 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 74.53 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -64.7 -66.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.151 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.73 -179.64 16.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 50.2 112.477 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.35 163.48 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 73.21 110.911 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 82' ' ' LEU . 1.2 pp -150.34 170.52 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.096 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -100.93 138.6 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.778 ' HB3' HD22 ' A' ' 82' ' ' LEU . 5.4 ptmt -103.4 158.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.562 0.696 . . . . 72.3 110.924 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.0 Cg_endo -69.68 175.66 35.43 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 -1.793 . . . . 75.35 112.356 -0.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.521 HD11 HD13 ' A' ' 103' ' ' ILE . 27.7 mm -110.96 149.94 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.069 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.94 158.17 42.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 70.34 110.909 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.556 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.9 Cg_endo -69.79 -36.77 10.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 52.13 112.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.34 55.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 75.23 112.513 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.6 t -79.06 -34.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 61.31 111.113 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 18' ' ' LEU . 10.3 tp -70.53 -40.89 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 64.35 110.935 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 21' ' ' THR . 91.0 t -72.51 -49.76 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 62.13 111.096 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.56 -32.89 69.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 118' ' ' THR . 10.7 mt -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.24 110.946 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 49' ' ' LEU . 37.5 t -84.21 -34.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 53.53 111.13 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.87 59.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.3 111.111 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 115' ' ' LEU . 12.4 t -51.43 -33.3 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 51.23 111.171 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' A' ' 78' ' ' PRO . 11.0 mt -84.73 -34.94 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -66.27 -48.86 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 53.35 110.848 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 62.27 160.68 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.668 0.747 . . . . 64.13 110.858 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.88 36.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 63.34 112.372 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 52.63 36.47 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.128 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -173.47 68.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.53 111.092 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 71.31 110.885 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 61.43 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 119' ' ' LEU . 49.6 mm -52.97 113.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 62.32 111.113 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.44 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -99.63 -43.2 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.22 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.44 HG23 ' HD2' ' A' ' 3' ' ' ARG . 72.4 p -143.98 159.91 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 61.32 111.175 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.442 ' CD1' HD22 ' A' ' 22' ' ' LEU . 72.5 mt -136.43 145.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 62.32 111.134 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -128.22 132.81 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.957 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.597 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -135.58 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 53.32 111.055 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.772 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.3 mp -141.17 131.09 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.119 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.49 171.22 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.05 110.881 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -106.3 -36.44 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -79.64 116.21 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.04 110.805 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.17 41.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.051 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -57.63 -50.1 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.152 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -51.63 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.02 110.866 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.04 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 71.22 110.847 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.98 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 43.15 111.098 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.9 tm? -61.46 -62.03 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 54.44 110.948 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD22 ' HG ' ' A' ' 112' ' ' LEU . 58.1 mt -56.99 -47.25 81.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.914 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.38 -38.84 81.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.867 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.49 -50.33 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.147 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.6 m -50.65 -45.47 57.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 53.23 111.124 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 116' ' ' VAL . 14.1 mt -77.12 -37.16 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 63.34 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.27 76.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 62.42 111.094 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -61.08 -32.65 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 -20.67 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.35 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.31 -32.41 6.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 71.31 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -51.98 154.23 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.05 110.945 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.0 100.67 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG21 ' HB2' ' A' ' 22' ' ' LEU . 3.3 t -97.95 159.86 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.583 ' O ' HD22 ' A' ' 6' ' ' LEU . 95.7 m -145.8 111.13 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 71.52 111.174 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.54 138.6 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 62.15 111.147 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.05 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.52 111.087 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.41 -35.06 17.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.096 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.05 162.86 35.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 70.31 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.772 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -60.6 -31.7 75.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 75.22 112.444 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.81 -42.48 81.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 71.34 110.89 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.23 -34.69 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 30.24 111.092 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.92 -50.41 13.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 60.31 112.516 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' HD1' HD23 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -64.43 -48.5 75.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 74.45 110.907 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.36 -35.4 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.09 -27.54 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.21 110.894 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.13 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 52.44 111.099 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.01 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 23.21 111.075 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -27.18 29.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 45.33 111.156 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -103.1 -34.46 8.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.86 91.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.099 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.583 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 30.2 m-85 -92.83 -174.89 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.941 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 -34.16 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.989 HD21 HD23 ' A' ' 80' ' ' LEU . 1.1 tt -140.9 132.93 27.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.523 ' O ' HD13 ' A' ' 51' ' ' LEU . 21.9 t -120.16 135.53 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.179 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.4 mm? -124.59 117.34 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.774 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -118.56 135.89 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.24 111.119 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.737 ' HB2' HD12 ' A' ' 82' ' ' LEU . 27.8 t0 -113.53 -67.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.81 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -52.28 160.34 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.921 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -169.72 139.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 54.31 110.889 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mtt -163.0 160.57 18.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 74.52 110.866 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 91.78 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.258 . . . . 73.12 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.78 179.65 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -112.94 -38.58 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 t -111.65 73.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 64.02 110.847 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.78 -122.19 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 24.05 112.472 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 mt -56.02 -25.58 45.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 70.24 110.933 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.95 -27.13 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 62.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.604 HD23 ' HD1' ' A' ' 39' ' ' PHE . 10.9 tp -50.04 -29.12 8.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.9 mt -47.22 -34.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.149 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.64 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.1 111.115 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.626 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -68.46 -44.49 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.4 111.089 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.469 HD22 ' CE1' ' A' ' 39' ' ' PHE . 9.2 mp -65.47 -32.22 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.91 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.19 -47.42 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.872 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -67.5 -34.67 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 70.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 67' ' ' ALA . 1.5 mt -64.88 150.73 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 31.44 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -95.3 34.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.858 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.65 -33.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 64.53 111.087 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.55 -22.72 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.1 110.969 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.62 -39.67 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 64.22 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.05 -34.74 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.01 110.914 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.6 m -58.19 132.36 84.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 74.22 111.174 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.1 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 74.34 112.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.593 ' O ' HD13 ' A' ' 80' ' ' LEU . 48.0 mm -113.15 126.33 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.2 111.088 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.989 HD23 HD21 ' A' ' 49' ' ' LEU . 1.6 mm? -123.4 114.41 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 65.21 110.943 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.774 HG23 HG23 ' A' ' 52' ' ' THR . 14.4 p -104.5 147.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.101 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 53' ' ' ASP . 9.5 mt -101.05 151.47 21.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 50.45 110.975 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.8 t -131.39 162.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 55.22 111.117 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.9 p -106.7 -41.38 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.141 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.42 -67.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.6 33.97 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.53 112.501 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.46 176.45 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 43.01 110.849 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.11 -36.79 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.857 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.97 76.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 71.43 111.12 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.51 -41.36 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.4 110.908 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -51.95 -35.86 47.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 54.11 110.877 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.96 75.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.55 111.051 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.73 -61.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.35 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.92 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.23 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.2 ttm-85 -73.32 -35.81 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.14 -44.1 89.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.873 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.31 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 52.24 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.43 32.88 1.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 41.22 112.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.5 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 43.23 111.124 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.2 m -59.79 -70.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.35 111.158 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.95 172.16 21.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 74.33 112.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.497 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -139.21 166.62 24.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 75.13 110.92 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -144.63 161.94 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.04 111.116 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -110.46 105.89 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -54.93 160.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 75.44 110.882 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.8 173.04 46.37 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 -1.798 . . . . 74.42 112.342 -0.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mm -117.11 145.0 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.34 111.164 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.28 156.76 37.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 63.2 110.867 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.461 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.7 -32.64 18.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 70.04 112.38 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.52 -37.66 62.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 61.11 112.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.42 -42.75 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 71.41 111.138 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.564 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.9 tm? -60.17 -54.39 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 43.11 110.893 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.529 ' CG2' HG22 ' A' ' 21' ' ' THR . 85.9 t -59.62 -46.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 71.43 111.119 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -54.88 -38.44 67.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 44.2 110.891 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.23 -34.25 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.918 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.739 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.4 t -83.13 -34.01 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.164 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.77 22.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 73.33 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -51.17 -33.7 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.143 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.524 ' HB2' HD11 ' A' ' 2' ' ' ILE . 11.5 mt -77.18 -46.88 21.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.912 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.1 t -60.21 -51.0 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 54.15 110.908 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -128.86 153.67 80.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 54.21 110.914 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -171.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 75.32 112.355 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.83 137.37 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 65.45 111.086 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -168.51 59.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 64.53 111.077 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 73.03 110.903 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 52.33 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -71.93 130.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 74.34 111.083 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.4 -48.66 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.867 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.43 150.38 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.118 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 ' HB3' ' A' ' 49' ' ' LEU . 72.9 mt -133.02 144.93 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.115 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 30' ' ' THR . 27.8 tp -128.57 138.69 52.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.919 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.402 ' H ' HD12 ' A' ' 6' ' ' LEU . . . -134.33 145.75 49.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.44 111.077 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.657 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.8 mp -141.03 108.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.33 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.01 169.92 12.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.858 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -95.16 -36.32 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.25 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -86.75 122.88 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.884 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.42 47.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 72.53 111.144 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -58.37 -47.05 85.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -49.44 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 51.2 110.892 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -36.44 51.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 70.43 110.843 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.03 -42.69 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 23.52 111.103 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.1 tm? -55.72 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 107' ' ' ILE . 50.3 mt -57.63 -36.15 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.934 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' HD2' HG13 ' A' ' 29' ' ' VAL . 12.1 t-80 -65.22 -38.49 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.32 110.862 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.17 -45.97 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 73.01 111.131 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.8 m -51.67 -47.58 63.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 60.41 111.127 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' HB2' HG11 ' A' ' 29' ' ' VAL . 28.5 mt -75.37 -36.81 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.22 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -53.01 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 51.21 111.08 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -56.45 -34.09 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.893 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.61 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.43 111.09 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.34 -33.13 5.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 53.32 112.462 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -52.36 154.4 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.4 110.908 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -96.11 80.53 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 53.02 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.3 p -90.66 143.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.143 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.608 ' O ' HD12 ' A' ' 6' ' ' LEU . 85.7 m -139.11 145.6 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.33 111.178 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -107.08 149.68 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.54 111.115 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.82 179.05 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 54.21 111.115 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.54 -35.64 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -151.52 155.63 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.657 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.3 -32.29 36.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.06 -48.28 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 73.34 110.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -35.05 78.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.061 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.39 29.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 74.12 112.469 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 74.25 110.874 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -52.33 -37.02 54.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -84.76 -33.29 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.66 23.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.097 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.86 -27.9 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 63.35 111.1 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -27.68 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 53.51 111.16 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -102.0 -36.43 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.22 111.173 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.73 74.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.111 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.58 174.56 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 60.52 110.913 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.54 -33.9 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 74.52 110.864 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.886 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -138.42 123.71 19.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.896 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.3 t -116.58 141.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -134.14 110.17 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 63.3 110.92 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.834 HG23 HG23 ' A' ' 81' ' ' VAL . 10.2 t -104.92 161.59 14.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.5 111.142 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 63.23 110.857 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 43.11 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -50.77 -31.85 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 62.54 110.898 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 43' ' ' ALA . 15.0 tp -50.47 -32.62 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.92 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.752 ' HA ' HD12 ' A' ' 68' ' ' LEU . 43.7 mt -50.13 -35.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.102 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.13 -50.26 74.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 42.04 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.56 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 65' ' ' ILE . 6.3 mt -75.93 -35.02 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.925 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -67.83 -49.82 60.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.19 154.67 40.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.924 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.56 35.12 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.843 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.49 -32.28 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.04 111.082 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -111.7 -24.64 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.898 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.44 11.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.32 111.107 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.93 -34.73 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.12 110.864 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.45 HG23 ' HD2' ' A' ' 78' ' ' PRO . 88.3 m -57.7 133.79 82.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 75.41 111.173 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.822 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.6 Cg_endo -69.79 134.28 27.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 72.23 112.357 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.509 ' O ' HD13 ' A' ' 80' ' ' LEU . 46.5 mm -130.04 128.03 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.54 111.113 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.886 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -122.1 118.03 27.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.862 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.834 HG23 HG23 ' A' ' 52' ' ' THR . 13.3 p -104.31 133.5 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.104 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.752 HD23 HD13 ' A' ' 103' ' ' ILE . 4.6 mt -84.14 151.12 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 54.42 110.919 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 103' ' ' ILE . 12.7 t -134.34 169.75 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 t -131.32 -39.41 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 71.52 111.119 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -73.02 -35.84 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.886 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.93 43.59 98.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 73.24 112.484 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.72 165.09 12.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 75.21 110.831 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.54 -36.38 38.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.81 79.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.095 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -61.5 -36.75 81.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -51.89 -35.81 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 53.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.32 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 64.33 111.101 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.99 -57.87 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 71.42 111.117 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -43.07 62.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 41.12 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -70.28 -35.79 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.92 -44.02 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.3 76.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.178 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.54 33.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 43.12 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.28 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 64.52 111.105 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 m -56.15 -71.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 71.21 111.12 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.21 -179.46 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.471 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.24 163.9 29.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 75.53 110.93 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.752 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.86 170.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.42 . . . . 63.34 111.158 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.92 132.58 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.75 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -88.98 158.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 74.12 110.858 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.1 Cg_endo -69.75 175.51 36.25 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 -1.804 . . . . 74.3 112.375 -0.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.586 ' HB ' HD21 ' A' ' 18' ' ' LEU . 26.8 mm -115.73 138.97 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 60.3 111.142 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.95 156.12 60.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 75.45 110.833 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.2 Cg_endo -69.78 -33.59 16.2 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 73.14 112.39 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.04 65.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.798 -0.715 . . . . 64.35 112.493 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.5 t -80.9 -47.21 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 64.23 111.127 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 112' ' ' LEU . 3.0 tm? -58.35 -55.54 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.917 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.491 ' CG2' HG22 ' A' ' 21' ' ' THR . 84.0 t -58.19 -35.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 65.55 111.144 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.89 -38.22 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.05 -36.23 83.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 49' ' ' LEU . 10.1 p -84.39 -34.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 72.05 111.125 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.46 27.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.24 111.094 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.33 -34.49 33.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.822 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.3 mt -79.11 -35.97 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.947 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.847 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 70.25 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.801 HD11 ' HB2' ' A' ' 119' ' ' LEU . 41.6 mm -65.35 108.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 61.11 111.137 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -95.44 -41.86 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.863 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.5 p -144.43 159.35 42.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.119 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 22' ' ' LEU . 55.2 mt -141.84 147.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 63.42 111.123 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.951 HD23 HG13 ' A' ' 50' ' ' VAL . 2.6 tp -131.14 138.78 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.919 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -143.76 118.85 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.058 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 51' ' ' LEU . 2.3 mp -110.23 121.42 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 75.31 111.117 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.84 169.45 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.85 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.72 43.45 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 60.41 110.815 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -165.53 123.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.865 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -37.58 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -59.95 -49.84 76.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.124 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.405 ' HE1' ' HA ' ' A' ' 106' ' ' PRO . 1.5 tpt -68.95 -49.1 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.887 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HE ' HG21 ' A' ' 31' ' ' VAL . 26.3 mtp180 -53.88 -37.29 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.839 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 -44.93 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 45.24 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -53.33 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.1 110.94 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.722 HD22 ' CD1' ' A' ' 112' ' ' LEU . 39.5 mt -57.87 -49.45 76.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 61.23 110.892 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.615 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.3 t-80 -51.91 -36.98 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.907 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.55 -46.21 33.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.072 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 109' ' ' PRO . 1.1 m -51.17 -40.94 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.151 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.546 ' CD1' HG21 ' A' ' 5' ' ' ILE . 46.8 mt -83.92 -33.77 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.141 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.83 -37.29 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.933 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -20.7 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.88 -31.56 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 23.11 112.478 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -50.34 153.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 73.34 110.881 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -91.18 81.1 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 19' ' ' HIS . 6.0 p -89.51 138.11 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 62.4 111.102 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -136.08 143.37 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 44.22 111.132 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG21 ' HE ' ' A' ' 15' ' ' ARG . 17.1 m -110.25 138.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 55.41 111.143 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.1 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 55.11 111.078 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.63 -35.53 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.638 ' C ' HG21 ' A' ' 8' ' ' ILE . 39.1 m-20 -155.06 160.29 40.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 54.03 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.539 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.19 -32.06 35.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 64.14 112.503 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -69.42 -51.33 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 61.32 110.921 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.29 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 65.24 111.093 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.23 -53.5 5.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.442 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 65' ' ' ILE . 7.7 m-85 -61.79 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 73.53 110.851 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.4 -39.91 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 mt -85.76 -29.46 23.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 64.14 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.46 -24.29 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.76 -28.3 28.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 71.22 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -28.08 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 55.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -100.16 -36.69 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 61.5 111.13 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 83.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -85.17 177.92 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.948 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.39 -34.1 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 61.31 110.873 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.823 HD21 HD23 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -144.49 124.13 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 51.12 110.912 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.951 HG13 HD23 ' A' ' 6' ' ' LEU . 66.9 t -119.48 141.98 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 53.21 111.164 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.669 ' O ' HD12 ' A' ' 8' ' ' ILE . 9.5 mt -129.97 131.06 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 71.12 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 81' ' ' VAL . 14.8 t -130.61 162.73 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 61.05 111.166 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.867 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.746 0.308 . . . . 74.53 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -50.8 -29.32 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mp -48.9 -33.21 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 39' ' ' PHE . 77.2 mt -50.02 -40.77 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.23 111.124 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.08 -35.38 64.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.102 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -67.68 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.101 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.31 -33.65 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.906 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.36 -48.23 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 75.13 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -61.55 -35.03 76.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 52.41 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -71.76 148.9 45.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 44.43 110.888 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -95.38 35.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.47 -32.34 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 53.12 111.1 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -113.28 -27.47 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.909 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.96 -35.78 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 62.21 111.071 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -83.89 -34.06 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.15 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.444 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.5 m -51.71 133.63 36.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 74.22 111.171 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.79 119.13 6.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 73.45 112.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 80' ' ' LEU . 44.2 mm -121.08 131.46 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 64.22 111.15 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 49' ' ' LEU . 2.0 mm? -122.03 119.39 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.956 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.603 HG23 HG23 ' A' ' 52' ' ' THR . 14.2 p -104.36 134.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 52.23 111.143 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 103' ' ' ILE . 1.6 mt -83.45 150.24 26.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 103' ' ' ILE . 6.3 t -130.52 162.78 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.142 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -117.83 -35.05 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.098 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.6 -35.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 73.14 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.86 33.01 82.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 52.15 112.515 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.87 161.65 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 70.44 110.819 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.52 -36.28 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.03 82.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.105 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -56.39 -38.52 71.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.862 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -51.89 -35.99 47.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.895 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 44.23 111.059 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 72.34 111.124 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.91 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -63.87 -35.69 81.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.9 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.07 -41.25 95.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.15 78.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 72.1 111.104 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.46 32.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 71.22 112.47 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.58 143.46 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 61.12 111.104 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.4 m -59.07 -73.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.135 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.93 -179.1 16.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.481 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.454 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.37 163.15 31.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 75.43 110.928 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.768 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -150.04 170.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.45 111.119 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.87 134.03 48.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 55.12 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 106' ' ' PRO . 2.1 pttp -96.01 159.12 32.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 65.2 110.914 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.7 175.18 37.39 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.729 -1.78 . . . . 62.35 112.296 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.1 mm -116.39 150.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.32 111.182 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.96 155.63 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.697 . . . . 64.45 110.937 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.502 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.9 Cg_endo -69.73 -34.0 15.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 71.14 112.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.76 -34.59 66.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 33.31 112.495 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.4 t -76.46 -49.52 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 72.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.722 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.8 tt -52.83 -58.36 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 62.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.437 ' CG2' HG22 ' A' ' 21' ' ' THR . 88.3 t -53.54 -35.89 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.31 111.123 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.56 -35.78 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.9 mt -68.74 -33.77 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 74.02 110.92 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.7 t -83.8 -34.05 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 21.44 111.169 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.69 -54.75 20.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 73.12 111.074 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.58 -34.63 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.079 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.801 ' HB2' HD11 ' A' ' 2' ' ' ILE . 13.8 mt -74.32 -45.36 47.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.932 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.3 110.86 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 73.4 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.734 HD11 ' HB2' ' A' ' 119' ' ' LEU . 46.9 mm -64.35 112.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.125 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -93.24 -58.71 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 61.25 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.28 164.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.112 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 49' ' ' LEU . 52.2 mt -139.12 147.89 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.754 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -130.16 130.92 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 65.01 110.935 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -130.89 145.77 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 70.43 111.103 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.754 HD11 HD12 ' A' ' 6' ' ' LEU . 4.7 mp -140.71 112.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.11 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.74 171.88 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.862 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -93.17 -52.5 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 65.35 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 t -67.29 120.72 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.904 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 -38.67 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.15 111.101 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.6 m -59.2 -37.38 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.1 111.1 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.35 -45.81 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 71.25 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -57.94 -37.48 74.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 73.33 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.78 -46.57 16.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 43.54 111.075 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.7 tm? -53.2 -61.92 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.791 HD21 ' HB ' ' A' ' 107' ' ' ILE . 6.4 mt -56.39 -48.17 77.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.929 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.55 ' HD2' HG13 ' A' ' 29' ' ' VAL . 16.2 t-80 -52.31 -41.48 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.873 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.08 61.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 41.15 111.135 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.1 m -51.44 -42.51 61.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.5 111.175 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.776 HD21 HG21 ' A' ' 116' ' ' VAL . 27.9 mt -83.3 -37.0 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.934 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.79 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.07 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -55.85 -34.08 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 63.42 110.937 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.65 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.23 -32.83 5.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 72.4 112.509 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -52.39 154.46 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 61.41 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -97.75 81.33 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -93.27 143.58 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 53.22 111.134 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.4 m -135.55 140.45 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 63.43 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -96.67 138.73 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 54.25 111.131 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 8' ' ' ILE . . . -100.22 -178.38 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.13 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -35.43 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 62.43 111.111 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.611 ' C ' HG21 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -156.86 164.66 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.33 110.892 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -51.91 -31.93 33.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 64.34 112.457 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.13 -52.49 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 64.11 110.908 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.37 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 72.43 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.04 -47.98 35.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 74.12 112.446 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 2.3 m-85 -63.71 -36.06 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 72.22 110.862 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.37 -23.54 59.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.111 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -14.61 59.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t -114.91 -28.59 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -110.24 -40.18 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.106 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.41 98.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 43.34 111.099 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 6' ' ' LEU . 26.8 m-85 -94.81 162.63 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 64.21 110.919 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 77' ' ' THR . 0.4 OUTLIER -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 62.42 110.896 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.749 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -136.06 136.55 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 60.5 110.922 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.33 136.62 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.44 111.112 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' A' ' 7' ' ' ALA . 10.0 mt -127.17 109.94 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.901 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.551 HG21 ' CE2' ' A' ' 39' ' ' PHE . 9.6 t -115.52 145.65 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.165 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HB2' HD12 ' A' ' 82' ' ' LEU . 27.8 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.1 110.922 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.458 -0.035 0 CA-C-O 120.774 0.321 . . . . 73.41 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.24 -30.88 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 72.24 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.35 -32.3 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.883 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.63 ' HA ' HD12 ' A' ' 68' ' ' LEU . 41.7 mt -49.3 -37.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.148 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.05 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 62.52 111.125 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -31.51 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.091 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 65' ' ' ILE . 2.3 mt -80.08 -33.88 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.889 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -51.71 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 64.34 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.8 -35.02 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.939 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.48 150.28 45.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -95.2 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.18 -31.93 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 73.25 111.131 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -112.14 -24.78 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.916 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.75 -35.39 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 45.11 111.12 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -83.38 -35.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' ASP . 89.1 m -54.19 125.8 51.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 64.43 111.16 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.275 . . . . 65.01 112.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.687 ' O ' HD23 ' A' ' 80' ' ' LEU . 46.8 mm -102.86 143.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.149 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 79' ' ' ILE . 50.9 mt -134.81 117.6 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 71.41 110.941 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG13 ' HB2' ' A' ' 102' ' ' TRP . 14.7 p -104.38 134.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 70.13 111.16 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.695 HD23 ' CD1' ' A' ' 103' ' ' ILE . 3.6 mt -83.88 152.11 24.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.938 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -142.38 165.38 27.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 44.42 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 t -100.76 -35.12 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -131.98 148.81 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 54.25 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.3 t -85.05 125.65 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 72.32 110.822 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.72 -36.89 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 74.52 110.848 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.92 72.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.14 111.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -65.18 -40.44 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.834 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -51.95 -36.73 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.66 81.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -53.86 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 54.22 111.063 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.41 111.097 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -68.57 -35.9 78.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.915 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.0 -37.91 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 54.34 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.26 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 53.54 111.066 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.82 38.82 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 72.31 112.536 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.6 147.61 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 64.53 111.112 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -66.9 -61.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 65.21 111.158 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.82 174.12 25.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 62.34 112.478 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.47 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.98 163.67 30.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 75.54 110.896 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.695 ' CD1' HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.9 158.9 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.65 132.03 50.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.919 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 11.0 mtpt -76.9 160.37 76.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 71.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.76 176.38 32.84 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 -1.817 . . . . 71.23 112.373 -0.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.791 ' HB ' HD21 ' A' ' 18' ' ' LEU . 31.5 mm -111.1 138.62 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 71.01 111.144 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.21 155.04 52.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 71.02 110.847 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.71 -31.88 19.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 75.02 112.384 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.14 -43.22 33.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 42.42 112.514 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -66.56 -47.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 74.34 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.787 HD13 HD22 ' A' ' 18' ' ' LEU . 7.2 tp -55.72 -42.78 75.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 70.04 110.881 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.57 ' CG2' HG22 ' A' ' 21' ' ' THR . 98.9 t -74.16 -35.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 61.43 111.147 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -62.87 -35.96 81.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 80' ' ' LEU . 94.5 mt -69.85 -33.39 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.909 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.776 HG21 HD21 ' A' ' 22' ' ' LEU . 21.5 t -82.0 -32.96 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.09 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.3 -55.71 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 51.45 111.081 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -51.26 -34.37 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.734 ' HB2' HD11 ' A' ' 2' ' ' ILE . 7.2 mt -73.64 -47.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 50.15 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.0 110.815 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 73.4 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.421 HG21 HD11 ' A' ' 5' ' ' ILE . 49.0 mm -60.7 103.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.152 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -92.82 -46.61 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 63.52 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.9 p -140.39 160.04 40.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 43.23 111.145 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 49' ' ' LEU . 57.0 mt -142.1 146.11 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.73 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -123.35 135.71 54.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.905 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.561 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -135.4 146.82 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 52.44 111.117 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.73 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -140.64 114.94 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.01 111.141 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.0 165.52 24.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.858 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.42 37.05 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 51.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -156.19 122.43 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 61.23 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.7 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 43.35 111.083 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.4 m -63.76 -52.94 58.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 70.02 111.166 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.56 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.11 110.877 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.409 ' O ' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.98 -36.23 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.893 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.33 -36.85 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 73.43 111.078 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.97 -61.34 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 61.13 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.42 -35.18 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.922 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.528 ' HD2' HG13 ' A' ' 29' ' ' VAL . 15.8 t-80 -70.05 -39.13 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 63.2 110.88 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.88 47.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.0 m -51.43 -44.59 62.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 62.33 111.149 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.682 ' HB2' HG11 ' A' ' 29' ' ' VAL . 20.7 mt -78.34 -38.31 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 70.33 110.922 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 52.1 111.079 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -55.78 -33.93 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 70.03 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.64 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.098 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.2 -32.43 6.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.747 . . . . 60.33 112.489 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -51.91 154.44 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.366 . . . . 74.31 110.932 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.35 76.04 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 64.11 110.906 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.8 p -90.15 144.15 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 52.13 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.1 m -139.73 144.85 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 63.23 111.142 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG11 ' O ' ' A' ' 15' ' ' ARG . 17.0 m -100.04 154.21 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.31 111.151 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.77 -176.97 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 60.32 111.109 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.1 -35.67 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.45 111.097 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -153.47 163.04 40.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 61.04 110.893 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.572 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.4 -32.76 38.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 52.13 112.48 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -78.18 -44.98 24.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 72.5 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.04 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.081 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 -51.42 6.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 61.52 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.93 -46.68 86.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 73.13 110.911 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.77 -40.54 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 75.55 110.859 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -80.49 -34.05 36.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.03 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.5 -25.75 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 31.22 111.104 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.85 -29.05 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.109 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -27.79 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.155 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.71 -34.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.41 111.16 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 88.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.32 111.112 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.718 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 62.6 m-85 -91.17 174.46 7.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.943 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 77' ' ' THR . 1.2 t70 -85.5 -36.04 20.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 73.13 110.859 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.629 HD12 HG23 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -138.25 140.33 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 44.23 110.897 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 t -120.36 149.21 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.092 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -138.63 116.02 11.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.91 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.746 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -123.34 156.96 34.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 61.5 111.174 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.825 ' HB3' HD12 ' A' ' 82' ' ' LEU . 22.1 p-10 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 63.31 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.3 mm? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.779 0.323 . . . . 74.14 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.62 -32.16 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.41 -32.9 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -50.11 -35.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 61.4 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.66 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.16 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.44 111.082 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.547 HD23 ' CD2' ' A' ' 74' ' ' TYR . 11.0 mp -79.42 -34.76 41.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 45.31 110.913 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -58.56 -52.07 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.34 110.837 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.87 -35.21 66.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 45.34 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.35 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -95.36 35.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.28 -32.16 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 52.33 111.081 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.547 ' CD2' HD23 ' A' ' 68' ' ' LEU . 9.7 m-85 -112.27 -25.87 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 75.11 110.931 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.39 -35.8 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.41 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.16 -35.43 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.886 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP . 87.3 m -54.19 125.71 50.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.525 0.679 . . . . 71.23 111.144 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.722 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.9 Cg_endo -69.73 92.45 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 73.23 112.357 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.576 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.1 mm -80.77 139.31 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.118 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 79' ' ' ILE . 20.9 mt -126.87 118.44 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.923 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.746 HG23 HG23 ' A' ' 52' ' ' THR . 11.4 p -113.65 147.85 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.45 111.156 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' A' ' 53' ' ' ASP . 62.0 mt -94.29 151.23 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 55.42 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.0 t -133.0 145.51 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.155 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -94.53 -35.37 12.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 62.43 111.145 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.79 -70.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.62 39.32 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.518 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -113.38 166.91 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 73.34 110.872 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.18 -44.07 97.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 54.24 110.898 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.17 -41.3 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.097 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.38 -41.7 97.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 63.01 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -52.0 -36.59 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.36 80.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -59.42 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 -47.09 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.75 -35.61 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 72.14 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.9 -41.49 97.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.18 35.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.452 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.89 162.03 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 64.11 111.098 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 m -97.86 -56.51 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.21 111.137 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.6 166.02 23.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.88 164.64 29.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 65.33 110.905 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -145.36 169.77 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.14 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -108.21 101.0 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.842 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.528 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.35 155.89 89.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 72.21 110.893 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.72 167.33 71.32 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 -1.801 . . . . 65.33 112.341 -0.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.84 149.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.27 157.93 47.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 73.11 110.887 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.78 -36.04 11.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 62.5 112.315 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.03 -39.19 54.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 115' ' ' LEU . 93.6 t -68.54 -47.23 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 72.13 111.131 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.69 -54.39 42.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 70.43 110.909 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 109' ' ' PRO . 98.1 t -52.79 -35.17 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.23 111.148 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -70.54 -37.15 74.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' HG12 ' A' ' 111' ' ' VAL . 3.2 mp -65.43 -36.61 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.953 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.629 HG23 HD12 ' A' ' 49' ' ' LEU . 10.1 p -84.45 -34.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 53.43 111.118 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.41 47.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 23.35 111.122 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -51.43 -33.87 32.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.166 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.722 HD13 ' CG ' ' A' ' 78' ' ' PRO . 9.6 mt -80.77 -35.96 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.798 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 63.23 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 119' ' ' LEU . 42.2 mm -70.91 129.62 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 43.43 111.128 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -118.09 -46.65 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.1 p -137.34 162.74 32.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 44.43 111.149 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.7 mt -143.13 147.15 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.3 111.147 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -128.61 135.58 49.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.9 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -132.39 144.79 50.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.054 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.775 HD11 HD12 ' A' ' 6' ' ' LEU . 5.1 mp -141.26 112.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 61.5 111.11 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.37 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.883 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.78 78.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.89 112.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.869 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -51.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 65.21 111.087 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -55.45 -35.29 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.122 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.17 -49.75 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.23 110.888 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.604 HH21 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.59 -34.16 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.871 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -35.28 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.21 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.55 -62.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.928 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 HH21 ' A' ' 15' ' ' ARG . 66.0 mt -52.07 -35.48 47.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.939 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.605 ' HD2' HG13 ' A' ' 29' ' ' VAL . 11.9 t-80 -67.23 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.9 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.55 -44.12 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 54.31 111.108 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.1 m -50.72 -42.91 57.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 62.42 111.12 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.576 ' HB2' HG11 ' A' ' 29' ' ' VAL . 18.8 mt -84.39 -35.11 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.13 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 21.51 111.119 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -55.57 -34.12 64.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.55 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.82 -20.63 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.56 -32.37 6.84 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 64.35 112.454 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -51.86 153.88 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 72.42 110.939 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.95 76.09 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.4 p -84.43 144.01 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.11 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -140.5 137.34 33.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.159 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -96.4 161.96 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.55 111.124 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.0 -177.43 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.094 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.37 -35.34 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 54.11 111.104 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.37 160.42 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 60.11 110.871 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.629 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -51.87 -31.49 31.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.491 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -74.06 -47.14 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 74.32 110.938 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -34.97 72.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.064 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.26 -45.16 11.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 73.21 112.514 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.41 -47.0 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.365 . . . . 74.13 110.896 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.42 -39.47 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 54.24 110.855 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.7 mt -83.19 -33.3 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.901 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.54 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.11 111.082 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.89 -27.77 26.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 40.23 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -27.76 23.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 64.01 111.168 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.7 m -101.93 -36.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.126 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.69 75.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 61.21 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.727 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 66.9 m-85 -76.41 166.25 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.967 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 77' ' ' THR . 2.1 m-20 -82.15 -34.41 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.53 110.876 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.841 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 tt -141.7 125.11 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.881 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.581 ' O ' HD12 ' A' ' 51' ' ' LEU . 21.8 t -122.77 149.45 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 55.13 111.168 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 50' ' ' VAL . 5.3 mp -133.73 121.95 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.693 HG23 HG23 ' A' ' 81' ' ' VAL . 5.9 t -115.59 162.16 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 54.52 111.168 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' CA ' HD12 ' A' ' 82' ' ' LEU . 19.7 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.921 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.76 0.314 . . . . 74.25 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -51.77 -29.62 19.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.942 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 mt -49.37 -32.08 10.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 74.5 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -48.95 -34.8 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 64.04 111.114 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.05 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.13 111.107 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.515 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -66.6 -36.88 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.109 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.95 -33.92 76.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.889 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.18 -44.11 80.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 62.13 110.851 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -73.39 -35.72 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.954 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 67' ' ' ALA . 8.6 mt -67.95 146.13 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -95.35 34.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.13 110.86 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.6 -33.72 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.32 111.095 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.74 -27.49 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.904 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.77 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 43.43 111.105 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.01 -35.51 56.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 48' ' ' ASP . 62.6 m -52.33 126.33 36.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 71.43 111.115 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.485 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.79 98.88 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 64.41 112.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 80' ' ' LEU . 46.5 mm -92.23 135.33 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 74.21 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.841 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -123.85 121.97 36.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.881 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.693 HG23 HG23 ' A' ' 52' ' ' THR . 11.9 p -104.21 140.54 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.2 111.167 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' A' ' 105' ' ' LYS . 1.8 mt -84.13 149.01 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.942 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 103' ' ' ILE . 15.1 t -144.44 172.77 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 61.54 111.145 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -134.39 -40.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -60.34 -74.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 70.03 110.836 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.47 38.04 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 75.51 112.483 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -115.88 134.22 55.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.1 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 4.0 m-20 -53.28 -30.72 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.126 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.25 -52.06 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 88' ' ' ASP . 9.4 ptmt -61.12 -32.82 72.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.88 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.094 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.05 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.058 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.03 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -70.52 -35.79 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.52 -40.12 78.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.868 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.16 75.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.97 37.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 65.12 112.498 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.05 122.64 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 30.12 111.124 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.6 m -51.2 -55.94 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 61.13 111.17 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.89 -179.41 30.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 61.14 112.477 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.596 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.26 164.22 29.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 74.15 110.841 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pp -150.16 170.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.154 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -99.68 118.92 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.804 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.519 ' CB ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -91.12 160.08 38.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 35.55 110.894 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.73 174.97 38.33 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 -1.809 . . . . 75.12 112.348 -0.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.433 HD11 HD13 ' A' ' 103' ' ' ILE . 28.9 mm -115.02 142.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.114 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.24 156.94 90.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 51.4 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.2 Cg_endo -69.82 -37.73 8.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 70.15 112.327 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.18 -33.2 57.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.488 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.37 -50.31 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 72.5 111.129 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.528 HD22 HD22 ' A' ' 18' ' ' LEU . 1.5 tp -51.19 -39.12 55.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.938 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 109' ' ' PRO . 88.3 t -69.51 -33.11 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.108 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 65.33 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.56 -42.39 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 5' ' ' ILE . 9.1 p -84.32 -33.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 65.11 111.174 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.51 26.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.38 -34.86 36.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.13 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.619 ' HB2' HD11 ' A' ' 2' ' ' ILE . 14.0 mt -74.64 -44.25 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 61.35 110.95 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.825 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.724 0.297 . . . . 73.42 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.83 115.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -93.27 -44.32 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.8 p -150.88 167.03 28.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 54.22 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.457 ' CD1' HD22 ' A' ' 22' ' ' LEU . 53.2 mt -139.72 140.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.13 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.715 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -121.83 131.89 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.881 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB1' ' NH2' ' A' ' 15' ' ' ARG . . . -136.8 148.9 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 42.53 111.101 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.705 HD11 HD12 ' A' ' 6' ' ' LEU . 3.9 mp -140.7 138.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 61.34 111.1 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -159.62 169.98 22.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.898 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.18 -63.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 53.14 110.912 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -51.7 107.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.01 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 62.33 111.092 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.9 m -51.63 -35.43 41.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.154 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -59.05 -56.11 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.879 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.599 ' NH2' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -51.94 -37.2 51.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 45.12 111.101 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' HD22 ' A' ' 17' ' ' LEU . 1.6 tm? -73.98 -53.68 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.705 HD23 ' CD1' ' A' ' 112' ' ' LEU . 5.3 mp -60.39 -42.59 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.937 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.747 ' CD2' HG13 ' A' ' 29' ' ' VAL . 33.0 t-80 -54.92 -44.11 73.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.883 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 53.53 111.102 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -57.59 -58.23 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.129 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 116' ' ' VAL . 13.3 mt -71.14 -44.66 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 52.42 110.899 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.35 -54.8 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 61.43 111.123 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -57.04 -33.72 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.75 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.21 111.129 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.72 -33.29 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 63.13 112.492 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.47 152.58 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 63.44 110.915 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.2 80.44 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 60.35 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG13 ' CD2' ' A' ' 19' ' ' HIS . 4.5 p -84.44 132.56 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 44.04 111.144 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.8 m -121.3 137.71 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.13 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -105.28 140.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 53.02 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.28 -175.96 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 42.52 111.108 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.94 -37.3 15.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 64.4 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' C ' HG21 ' A' ' 8' ' ' ILE . 6.1 t70 -151.53 163.03 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.914 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.16 -32.89 36.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 61.05 112.531 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.02 -47.84 41.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.362 . . . . 71.34 110.904 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.13 76.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 64.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.41 -50.67 11.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 35.33 112.487 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.67 -48.64 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 70.23 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.79 -37.08 50.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.868 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.48 -33.27 25.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.1 -25.91 24.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 63.24 111.106 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.75 -27.89 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.54 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.93 -27.81 24.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 74.23 111.138 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.467 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 5.5 m -101.87 -35.49 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.199 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.48 82.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 62.32 111.137 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.715 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 81.7 m-85 -86.24 174.58 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.955 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.89 -35.67 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 43.11 110.889 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.683 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -138.31 128.44 25.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.03 110.919 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.696 ' O ' HD22 ' A' ' 51' ' ' LEU . 24.1 t -113.73 142.41 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.137 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 50' ' ' VAL . 3.9 mm? -130.88 113.01 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 81' ' ' VAL . 2.7 t -119.52 159.45 24.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.12 111.151 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.881 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.806 0.336 . . . . 72.14 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.28 -31.94 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.892 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 68' ' ' LEU . 4.2 mm? -50.11 -34.27 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.901 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.1 mt -50.28 -43.63 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.79 -56.21 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.41 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 60.12 111.096 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 64' ' ' LEU . 9.8 mp -56.45 -34.26 66.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.932 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.14 -35.65 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 60.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -70.64 -42.17 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.61 149.84 48.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 61.51 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -95.63 34.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.41 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.84 -33.2 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 75.2 111.082 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.36 -29.02 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 71.42 110.97 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.56 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 52.25 111.087 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.61 -33.68 27.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.435 HG23 ' HD2' ' A' ' 78' ' ' PRO . 89.4 m -51.62 133.74 35.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 70.33 111.151 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.484 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 71.35 112.331 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.683 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.6 mm -103.42 141.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.11 111.165 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 79' ' ' ILE . 26.3 mt -131.71 115.02 15.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.906 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.674 HG23 HG23 ' A' ' 52' ' ' THR . 14.7 p -107.97 149.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.088 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 52' ' ' THR . 2.8 mp -97.93 151.34 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 103' ' ' ILE . 7.5 t -130.93 153.63 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.13 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.4 p -98.33 -36.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 71.32 111.132 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.73 -73.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 61.2 110.856 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.45 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 73.41 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -103.29 152.43 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 60.22 110.865 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -54.7 -39.69 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 55.54 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.29 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 51.23 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.27 -39.84 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -52.67 -36.39 56.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.913 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.13 111.132 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.04 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 71.25 111.08 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.57 -39.07 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.2 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -72.48 -35.75 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.3 -36.24 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.35 83.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 52.42 111.122 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.63 33.6 0.65 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 71.43 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.25 141.33 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 71.51 111.136 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -77.25 -56.46 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 70.43 111.129 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.49 167.4 23.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 34.24 112.496 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.56 164.78 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.714 0.292 . . . . 65.01 110.919 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.7 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.78 168.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 62.31 111.106 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.12 120.08 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -77.2 157.79 80.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 75.4 110.893 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.73 174.52 40.15 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 -1.796 . . . . 73.31 112.352 -0.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.4 mm -114.89 139.76 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 72.32 111.121 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.95 158.32 39.88 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.702 . . . . 72.52 110.919 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.1 Cg_endo -69.73 -32.84 17.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 21.25 112.338 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.76 -38.72 49.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 61.32 112.464 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.62 -40.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 73.41 111.142 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.705 ' CD1' HD23 ' A' ' 18' ' ' LEU . 7.7 tt -60.44 -56.53 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 109' ' ' PRO . 96.1 t -53.12 -35.83 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.101 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.52 -36.21 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.941 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 49' ' ' LEU . 23.8 t -84.38 -35.25 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.33 111.172 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.55 -54.83 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 73.33 111.141 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.8 t -51.66 -35.09 41.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 71.3 111.139 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 78' ' ' PRO . 37.0 mt -76.24 -43.91 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.902 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.828 -179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.725 0.298 . . . . 75.24 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.67 125.99 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 71.02 111.176 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -108.67 -50.26 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.823 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.7 p -138.26 161.68 36.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.12 111.116 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.642 ' CD1' HD22 ' A' ' 22' ' ' LEU . 53.7 mt -142.84 143.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 61.52 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.765 HD12 ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -133.55 129.56 37.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.927 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.96 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -133.72 156.23 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.132 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.9 mp -140.56 136.99 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 52.14 111.145 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.08 172.0 15.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 63.3 110.87 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.48 -61.14 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.859 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 m -54.05 102.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.886 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -35.78 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 61.42 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -62.6 -41.28 98.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 74.15 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.2 ttt -62.0 -56.94 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.889 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.435 HH22 HD13 ' A' ' 18' ' ' LEU . 5.0 mmp_? -59.97 -33.77 72.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.99 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.5 tm? -72.7 -43.7 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.92 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.704 ' CD2' HD22 ' A' ' 112' ' ' LEU . 33.0 mt -70.51 -44.22 68.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.962 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.674 ' CD2' HG13 ' A' ' 29' ' ' VAL . 21.3 t-80 -51.77 -43.18 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.839 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.4 78.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.05 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.558 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -59.14 -57.5 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.15 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.642 HD22 ' CD1' ' A' ' 5' ' ' ILE . 16.3 mt -67.87 -37.42 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.2 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.4 111.101 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -63.93 -33.39 75.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.962 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 -20.59 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 42.24 111.065 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.07 -32.81 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 55.21 112.463 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -58.34 152.82 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.44 110.929 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.65 78.52 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 75.12 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.674 HG13 ' CD2' ' A' ' 19' ' ' HIS . 5.7 p -84.97 135.89 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.083 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -133.4 146.9 51.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 61.13 111.132 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -118.91 138.79 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.108 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.39 -176.37 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.093 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.52 -35.52 22.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.22 111.091 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' C ' HG21 ' A' ' 8' ' ' ILE . 8.3 m-20 -151.77 166.27 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 65.34 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.491 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -56.1 -34.15 61.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 71.32 112.48 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -68.43 -48.48 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.47 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.095 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.42 -45.2 11.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.755 -0.736 . . . . 54.35 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -65.91 -46.43 78.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 75.24 110.847 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.37 -36.16 61.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.63 -32.22 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.874 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -26.07 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 54.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB2' HD21 ' A' ' 64' ' ' LEU . . . -85.21 -27.22 26.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 44.1 111.105 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -27.76 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.176 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.424 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.2 m -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.106 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.92 66.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 73.21 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.765 ' CE1' HD12 ' A' ' 6' ' ' LEU . 78.5 m-85 -67.19 160.35 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.35 110.946 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 77' ' ' THR . 1.5 m-20 -74.63 -33.83 62.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 62.22 110.809 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' A' ' 5' ' ' ILE . 1.1 tt -137.69 128.22 26.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.911 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 22.4 t -116.16 147.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.33 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.96 HD12 ' HB2' ' A' ' 7' ' ' ALA . 10.2 mt -138.4 111.47 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 71.12 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.6 t -121.56 162.73 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.51 111.131 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 72.02 110.872 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.769 0.319 . . . . 53.2 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.49 -24.94 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 64.2 110.891 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 43' ' ' ALA . 11.2 tp -48.58 -32.78 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 41.01 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.591 ' HA ' HD12 ' A' ' 68' ' ' LEU . 66.3 mt -48.59 -39.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.11 111.132 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.17 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.058 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.95 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 53.14 111.055 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 65' ' ' ILE . 3.4 mt -79.94 -33.67 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.888 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.58 -51.86 68.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.837 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.95 -35.19 66.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.36 151.28 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 64.42 110.938 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -95.47 34.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.902 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.46 -32.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 72.04 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.88 -24.54 10.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.951 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.12 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.51 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -84.87 -34.53 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 48' ' ' ASP . 38.0 m -51.7 128.12 34.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.533 0.682 . . . . 63.21 111.153 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 102.71 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 73.04 112.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' O ' HD23 ' A' ' 80' ' ' LEU . 49.2 mm -91.88 130.88 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.157 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 79' ' ' ILE . 21.4 mt -123.36 118.05 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.919 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.14 138.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 61.35 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.747 HD23 HD13 ' A' ' 103' ' ' ILE . 9.1 mt -83.9 148.12 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 62.45 110.922 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.649 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 15.4 t -146.51 175.23 10.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.133 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.495 HG23 ' HE3' ' A' ' 105' ' ' LYS . 17.8 p -127.68 -44.29 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 71.53 111.141 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -166.56 66.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.06 -21.29 13.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 62.12 112.512 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 t 63.25 179.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 72.23 110.879 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.8 -34.64 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 71.34 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.53 -30.99 55.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 54.23 111.101 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -81.03 -35.11 32.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.87 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -50.72 -33.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.867 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.11 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 75.12 111.1 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.64 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.34 -36.15 76.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.02 -42.79 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.108 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.37 37.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 74.22 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.2 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 71.33 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.6 m -102.78 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.145 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.81 175.4 21.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 73.05 112.46 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.649 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.05 162.58 33.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 74.1 110.935 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.747 HD13 HD23 ' A' ' 82' ' ' LEU . 1.2 pp -150.72 170.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.107 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -104.07 134.4 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.873 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.746 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -100.87 158.64 31.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 74.53 110.917 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.82 175.79 35.36 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 -1.798 . . . . 55.42 112.331 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 18' ' ' LEU . 24.4 mm -112.83 143.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 65.44 111.129 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.66 156.12 61.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 73.13 110.889 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.521 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.73 -34.79 13.97 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.7 2.267 . . . . 43.41 112.302 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.68 -35.79 62.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 71.42 112.474 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.2 t -83.45 -35.09 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 75.11 111.176 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 18' ' ' LEU . 5.8 tp -65.8 -36.76 84.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.558 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.2 t -80.23 -27.93 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.138 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -72.95 -43.28 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 112' ' ' LEU . 1.3 pp -63.44 -34.91 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 61.21 110.893 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.4 p -84.51 -33.96 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 63.11 111.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.29 -52.3 53.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 70.51 111.134 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 115' ' ' LEU . 11.1 t -51.77 -33.43 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -82.06 -35.73 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.888 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.12 110.897 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 74.24 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.33 98.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.149 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -95.33 -49.44 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 52.35 110.882 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 28' ' ' GLU . 34.2 p -132.37 160.37 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 72.42 111.137 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' ' 49' ' ' LEU . 56.9 mt -141.96 141.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.181 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.617 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -126.49 131.46 51.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.948 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.617 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -140.12 153.05 46.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.094 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.568 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -141.09 139.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.127 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -163.19 172.39 14.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.884 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.8 -53.49 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.835 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -61.76 101.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 31.12 110.875 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -35.67 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 62.02 111.062 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 m -62.67 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.22 111.172 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.44 -57.04 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.898 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.502 HH22 HD13 ' A' ' 18' ' ' LEU . 5.0 mmp_? -59.5 -34.11 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.875 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.7 -35.5 78.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.108 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.0 tm? -71.84 -53.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 61.51 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.765 HD22 HD22 ' A' ' 112' ' ' LEU . 10.8 mt -62.26 -40.28 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 65.54 110.948 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.631 ' HD2' HG13 ' A' ' 29' ' ' VAL . 9.7 t-80 -51.63 -42.41 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 53.25 110.802 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.11 -35.45 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 64.11 111.138 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.6 m -55.35 -42.56 74.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 60.33 111.12 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 5' ' ' ILE . 19.0 mt -83.85 -34.67 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.906 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.71 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 44.41 111.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.91 -37.97 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.76 -20.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.082 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.06 -33.37 5.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 75.42 112.474 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.75 153.62 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.21 110.951 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HB3' HG22 ' A' ' 4' ' ' THR . 7.4 tp10 -100.46 80.95 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.631 HG13 ' HD2' ' A' ' 19' ' ' HIS . 4.3 p -91.35 139.74 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.31 111.143 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -135.42 148.73 49.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.5 111.165 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.08 138.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.53 111.147 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.4 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.58 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 64.43 111.075 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.91 164.15 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.838 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.82 64.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 62.15 112.473 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.87 -42.78 80.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.0 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 61.21 111.155 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.99 -47.25 32.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 64.23 112.475 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.51 ' HE2' HG21 ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.36 -36.23 74.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 74.22 110.877 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.19 -49.04 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.04 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.64 -43.78 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 65.43 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.99 50.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.063 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.61 71.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 71.35 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.12 -31.35 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.156 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.6 m -79.83 -38.43 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.169 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.72 82.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 52.32 111.067 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.38 -35.25 68.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 44.53 110.854 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.618 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -137.56 134.25 35.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.905 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.64 150.08 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.21 111.152 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 80' ' ' LEU . 11.7 tp -139.65 129.7 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.2 t -149.03 148.61 29.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 51.34 111.125 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.612 ' OD1' HD13 ' A' ' 82' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.851 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 74.44 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -50.79 -30.78 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 65.43 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.8 mt -49.67 -33.73 16.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.954 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.6 mt -49.97 -40.1 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 70.13 111.094 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.21 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 63.25 111.099 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.05 -33.68 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 65.04 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -70.37 -51.58 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 63.01 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -55.84 -35.12 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.01 152.51 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 t -95.16 35.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 61.34 110.871 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.46 -31.44 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 62.01 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -113.31 -24.73 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 71.43 110.901 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.31 -36.71 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 71.3 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.75 -35.61 44.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 48' ' ' ASP . 91.2 m -51.91 125.7 31.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.589 0.709 . . . . 72.1 111.14 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.77 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.6 Cg_endo -69.78 94.82 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 35.32 112.345 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 80' ' ' LEU . 43.3 mm -87.31 135.31 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 60.33 111.182 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 51' ' ' LEU . 21.7 mt -125.51 119.62 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 94' ' ' ALA . 11.6 p -108.81 135.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 65.44 111.121 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.716 HD11 ' HG ' ' A' ' 51' ' ' LEU . 2.2 mp -84.14 149.8 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.434 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 7.6 t -127.86 146.78 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.34 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -100.16 -34.48 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.08 -42.02 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.62 49.35 24.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 61.44 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.78 161.76 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 63.32 110.874 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.58 -37.8 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 74.5 110.874 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.34 86.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.53 111.156 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.17 -37.72 81.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -52.12 -35.83 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.942 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.02 82.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 53.23 111.077 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.12 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 81' ' ' VAL . . . -52.01 -47.3 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.098 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -64.92 -35.61 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 54.43 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.66 -41.61 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.13 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.44 44.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 73.23 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.42 151.13 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 74.21 111.099 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.9 m -79.77 -64.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 44.21 111.163 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.81 175.42 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 41.43 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.434 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.01 164.03 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.711 0.291 . . . . 74.42 110.922 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 82' ' ' LEU . 1.1 pp -149.76 170.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 54.11 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.08 134.53 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.9 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.518 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 pttm -100.22 158.52 31.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 72.14 110.879 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.78 175.61 35.93 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 -1.802 . . . . 64.15 112.33 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.84 141.42 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.119 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 157.79 57.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 73.21 110.886 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.503 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.76 -35.72 12.14 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 75.13 112.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.61 -37.33 58.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 74.25 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.47 -46.64 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 54.21 111.144 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.765 HD22 HD22 ' A' ' 18' ' ' LEU . 5.7 tp -59.07 -60.35 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 62.21 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.529 ' CG2' HG22 ' A' ' 21' ' ' THR . 99.8 t -51.45 -35.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.42 111.093 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.5 -35.75 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.898 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.85 -34.86 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.5 t -84.28 -34.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.096 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.59 25.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 65.44 111.105 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.26 -34.82 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.77 HD13 ' HG3' ' A' ' 78' ' ' PRO . 33.0 mt -70.78 -46.25 63.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.42 110.82 -179.877 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.11 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.19 141.9 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -134.2 -46.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.21 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.111 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.592 ' CD1' HD22 ' A' ' 22' ' ' LEU . 64.4 mt -132.37 143.68 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.43 111.122 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.799 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -120.58 133.32 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 63.53 110.922 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.594 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -131.13 147.01 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.103 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.799 HD11 HD12 ' A' ' 6' ' ' LEU . 4.3 mp -140.62 108.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.15 171.41 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.897 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -103.36 -48.23 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -52.34 110.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 54.55 110.838 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.9 -35.8 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 40.41 111.102 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 m -70.16 -38.62 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.143 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.587 ' CE ' HD23 ' A' ' 17' ' ' LEU . 4.0 tpt -68.88 -50.83 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 60.34 110.922 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.49 -36.8 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.4 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.49 -44.97 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 64.21 111.112 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD23 ' CE ' ' A' ' 14' ' ' MET . 21.3 tp -62.2 -61.55 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.884 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD22 ' HG ' ' A' ' 112' ' ' LEU . 92.4 mt -51.44 -35.93 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 50.23 110.91 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.543 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.2 t-80 -63.38 -41.33 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.01 110.878 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.38 47.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 72.04 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.602 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.6 m -51.42 -44.02 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 64.52 111.097 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.592 HD22 ' CD1' ' A' ' 5' ' ' ILE . 7.8 mt -84.04 -36.37 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 72.14 110.897 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -53.02 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 71.23 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -55.84 -33.6 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.92 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.66 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.33 111.075 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 -33.28 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -54.79 154.26 5.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.41 110.894 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.97 80.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.4 p -89.51 143.7 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 53.14 111.137 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -139.36 137.83 36.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.97 138.88 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.33 111.066 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.32 179.26 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 33.31 111.111 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.07 -35.36 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 53.3 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -156.94 162.51 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.848 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.554 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.15 -32.19 35.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 45.31 112.467 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.71 -50.72 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 73.03 110.91 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.62 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 70.44 111.132 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.12 -52.18 9.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.22 112.48 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.16 -47.59 76.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 64.53 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.73 -36.13 45.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.896 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.81 -33.38 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.94 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.97 24.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 41.54 111.077 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.94 -28.37 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 64.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -27.72 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 64.21 111.152 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -101.98 -36.35 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.082 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.22 67.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 71.51 111.132 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.754 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 70.0 m-85 -68.13 174.56 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.909 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 77' ' ' THR . 1.4 m-20 -86.97 -34.56 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 63.34 110.843 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.984 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 tt -141.28 131.3 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.712 ' O ' HD22 ' A' ' 51' ' ' LEU . 23.3 t -112.6 148.65 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 41.31 111.12 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 50' ' ' VAL . 2.6 mm? -135.87 113.1 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 43.55 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.836 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -116.34 153.39 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.145 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.852 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.767 0.318 . . . . 73.25 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -51.82 -29.74 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.842 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -49.19 -32.95 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 62.24 110.92 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 68' ' ' LEU . 54.1 mt -50.01 -36.93 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.158 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -42.55 85.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.115 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.44 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 52.04 111.105 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' HD23 ' A' ' 64' ' ' LEU . 7.7 mt -78.51 -34.53 47.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.893 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 65.31 110.85 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -56.19 -35.47 67.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.01 110.894 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.68 151.14 43.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.942 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.4 p -95.35 35.68 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.4 -32.28 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 35.33 111.065 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.85 -24.35 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.36 -38.93 20.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 73.33 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.89 -35.27 59.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 70.22 110.862 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 48' ' ' ASP . 85.9 m -57.94 126.34 76.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 60.31 111.126 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.717 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.4 Cg_endo -69.71 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 74.21 112.37 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 44.3 mm -103.18 127.57 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.143 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.984 HD23 HD21 ' A' ' 49' ' ' LEU . 1.6 mm? -122.85 114.0 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.906 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.836 HG23 HG23 ' A' ' 52' ' ' THR . 14.4 p -104.58 146.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 65.42 111.145 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.82 151.53 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 103' ' ' ILE . 10.2 t -136.46 161.69 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.149 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.3 p -104.25 -45.05 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.203 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -74.48 -62.32 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 62.35 110.897 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.07 33.4 8.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.05 112.496 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.88 157.38 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 64.43 110.905 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.8 -36.1 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 63.21 110.882 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.04 84.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.89 -37.39 76.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.877 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -52.03 -35.84 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.896 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 72.34 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -57.24 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.3 111.097 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -49.65 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.14 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -66.01 -35.62 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.887 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.81 -44.2 94.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.22 110.869 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.29 84.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 70.24 111.08 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.16 35.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 51.22 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.71 142.25 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 71.43 111.123 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.8 m -69.77 -67.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.172 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.0 170.76 21.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 63.23 112.489 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.591 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.66 166.53 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 73.12 110.898 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -143.76 167.22 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.51 111.101 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.2 128.72 55.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 65.55 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -74.96 160.5 80.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 71.52 110.882 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.8 176.87 30.98 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 -1.799 . . . . 62.55 112.335 -0.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.0 mm -110.6 140.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 61.04 111.153 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.58 156.13 35.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 72.25 110.858 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.3 Cg_endo -69.81 -31.03 21.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 71.33 112.308 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.22 -37.22 49.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.43 112.468 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.41 -46.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 71.44 111.142 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.677 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.9 tm? -56.07 -51.92 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 45.21 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.602 ' CG2' HG22 ' A' ' 21' ' ' THR . 84.2 t -63.4 -52.27 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 61.33 111.103 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.78 -36.06 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.8 -35.41 79.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 61.44 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.668 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.3 t -84.6 -35.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 53.43 111.128 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.73 -54.22 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.1 -34.61 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.114 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.717 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.4 mt -79.55 -35.82 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 54.45 110.967 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 61.34 110.855 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 71.23 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mm -59.18 116.21 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.21 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.564 ' HD2' HG23 ' A' ' 4' ' ' THR . 2.6 tmt_? -102.71 -48.23 4.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.564 HG23 ' HD2' ' A' ' 3' ' ' ARG . 66.8 p -140.76 164.99 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 63.43 111.151 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.5 mt -142.04 143.57 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 71.02 111.108 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -123.53 137.19 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.916 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.544 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -137.6 147.7 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 71.24 111.079 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -140.9 128.48 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.093 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.17 161.83 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.893 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.15 -42.34 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 71.04 110.839 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 m -69.38 113.69 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.87 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.41 47.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.109 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -55.42 -49.7 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 44.55 111.139 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ttm -66.05 -46.91 76.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.829 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' O ' HG11 ' A' ' 31' ' ' VAL . 26.3 mtm180 -52.19 -38.11 56.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.904 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.7 -43.5 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 54.21 111.129 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -54.73 -62.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.868 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 112' ' ' LEU . 85.3 mt -57.38 -35.35 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.35 110.969 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HD2' HG13 ' A' ' 29' ' ' VAL . 11.9 t-80 -65.43 -39.1 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.823 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -47.66 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 41.12 111.072 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.497 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.5 m -51.2 -40.21 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 71.33 111.161 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD22 ' CD1' ' A' ' 5' ' ' ILE . 34.0 mt -82.91 -35.26 26.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.948 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.11 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 44.21 111.092 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -55.73 -37.48 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.66 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.08 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.31 -31.52 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 65.01 112.465 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -50.43 153.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 73.23 110.903 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.01 77.51 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 61.43 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.9 p -85.36 140.18 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 55.22 111.158 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -140.84 131.96 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.415 HG11 ' O ' ' A' ' 15' ' ' ARG . 33.1 m -96.89 138.81 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 64.52 111.157 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.11 -176.74 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.14 111.094 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.11 -35.54 16.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.096 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' HG21 ' A' ' 8' ' ' ILE . 16.4 m-20 -155.59 164.97 37.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.853 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.527 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.33 -32.79 37.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 74.11 112.509 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.02 -48.21 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 72.14 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -35.14 72.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 50.44 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.39 -46.42 12.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 62.13 112.523 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.76 -47.68 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 73.43 110.859 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -52.15 -37.56 54.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.02 -34.7 24.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.17 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' HD11 ' A' ' 68' ' ' LEU . . . -84.92 -29.31 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.3 111.098 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 -27.8 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 70.43 111.158 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.43 -35.79 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.02 76.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 42.23 111.105 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.723 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 58.6 m-85 -76.94 173.99 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.94 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -35.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 63.04 110.904 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.795 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -142.78 121.91 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.917 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.437 ' HB ' HD12 ' A' ' 79' ' ' ILE . 22.0 t -113.72 149.52 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.41 111.149 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -137.8 110.21 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.933 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 81' ' ' VAL . 15.2 t -109.23 162.66 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.41 111.161 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 71.42 110.873 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.789 0.328 . . . . 75.51 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.22 -31.38 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -32.35 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.4 mt -50.31 -35.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.166 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.62 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.22 111.061 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.57 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.112 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 43' ' ' ALA . 11.0 mp -78.75 -34.71 45.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.91 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 10.6 tpt180 -61.16 -51.31 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.01 110.838 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.07 -35.23 66.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 65.33 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.11 151.81 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 50.3 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -95.56 35.52 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.4 110.874 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.63 -32.25 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 75.12 111.094 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.07 -27.45 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.933 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -47.65 -35.74 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 25.34 111.115 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -85.01 -34.04 22.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.6 m -53.2 133.54 51.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.586 0.707 . . . . 55.42 111.122 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.736 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.1 Cg_endo -69.72 108.19 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 61.51 112.367 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.437 HD12 ' HB ' ' A' ' 50' ' ' VAL . 48.0 mm -111.24 126.43 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.133 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.795 HD23 HD21 ' A' ' 49' ' ' LEU . 2.6 mm? -118.28 120.79 38.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 64.32 110.908 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.674 HG23 HG23 ' A' ' 52' ' ' THR . 8.1 p -104.69 137.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.03 111.115 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.655 HD23 HG13 ' A' ' 103' ' ' ILE . 10.3 mt -83.71 147.6 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 54.12 110.904 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 103' ' ' ILE . 5.8 t -132.87 162.53 31.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.33 111.179 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.8 p -112.7 -37.07 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 61.35 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -72.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.875 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.69 33.32 4.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 73.41 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -117.4 179.9 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 64.13 110.862 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -72.36 -36.27 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 75.42 110.833 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.04 -37.59 54.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.32 111.132 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -73.3 -40.39 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.25 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -52.8 -36.31 58.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.9 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.76 81.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 53.23 111.098 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.23 111.099 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.077 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -64.53 -35.78 82.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.1 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.46 -40.16 96.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 61.14 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.3 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.12 111.112 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.06 33.62 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 61.4 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.06 135.58 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 71.51 111.115 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.0 m -52.84 -69.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 51.1 111.165 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.43 -179.12 16.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 75.02 112.535 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.03 165.46 25.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.695 0.283 . . . . 74.34 110.978 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pt -150.36 165.87 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 74.22 111.137 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.51 108.44 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -73.72 159.86 83.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 71.42 110.911 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.73 170.41 58.48 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 -1.783 . . . . 72.24 112.398 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.6 mm -114.24 139.35 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.25 111.127 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.08 158.05 65.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 74.13 110.842 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.434 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.5 Cg_endo -69.82 -32.78 17.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 54.34 112.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.23 -33.4 61.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 73.22 112.485 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.72 -44.26 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 65.4 111.159 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' ' 18' ' ' LEU . 3.1 tm? -58.29 -60.17 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.2 110.936 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.497 ' CG2' HG22 ' A' ' 21' ' ' THR . 94.6 t -53.95 -35.77 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.134 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -71.11 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.98 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 34.01 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.626 HG23 HD12 ' A' ' 49' ' ' LEU . 10.3 p -84.27 -34.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.118 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.35 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.04 111.11 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.82 -35.38 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.12 111.155 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.736 HD13 ' HG3' ' A' ' 78' ' ' PRO . 10.0 mt -77.04 -42.3 39.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 60.21 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.889 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 75.42 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.99 105.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.54 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.68 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -85.64 -60.43 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.87 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 3' ' ' ARG . 43.5 p -137.44 168.61 19.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.112 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.533 ' CD1' HD22 ' A' ' 22' ' ' LEU . 63.4 mt -139.51 145.12 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.163 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.879 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -126.75 134.54 50.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.932 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.636 ' HB1' ' NH1' ' A' ' 15' ' ' ARG . . . -133.95 144.28 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.04 111.101 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.879 HD11 HD12 ' A' ' 6' ' ' LEU . 4.0 mp -140.61 129.24 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 60.21 111.152 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -163.33 171.96 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.865 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -89.01 -53.11 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 63.44 110.839 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -62.96 104.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.2 110.879 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -37.25 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.108 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -60.41 -35.23 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.135 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.411 ' HE1' ' HB3' ' A' ' 106' ' ' PRO . 25.3 tpp -66.16 -56.69 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 44.43 110.887 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.636 ' NH1' ' HB1' ' A' ' 7' ' ' ALA . 4.7 mmp_? -60.89 -33.36 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.836 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.16 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.2 tm? -71.74 -35.09 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 72.4 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.598 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.938 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.623 ' HD2' HG13 ' A' ' 29' ' ' VAL . 11.8 t-80 -62.01 -35.99 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.838 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.18 -42.63 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.092 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.2 m -55.55 -59.06 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 75.11 111.12 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 5' ' ' ILE . 17.6 mt -63.12 -35.82 81.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 34.11 110.931 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.78 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 63.42 111.08 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -58.28 -33.38 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.936 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -20.67 65.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 64.22 111.073 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.51 -32.96 5.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 64.04 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -51.67 154.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 75.15 110.911 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.519 ' HB3' HG22 ' A' ' 4' ' ' THR . 5.4 tp10 -98.57 81.57 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 74.14 110.857 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.7 p -90.37 143.68 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -134.36 154.92 51.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.169 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.17 138.76 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 63.24 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -179.8 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.36 -35.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.41 111.092 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -145.4 155.67 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 65.22 110.83 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.676 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.22 -32.89 37.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 31.23 112.485 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -71.16 -50.07 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 63.22 110.902 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.03 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 64.34 111.118 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.67 -44.56 12.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 75.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' HB3' HD12 ' A' ' 64' ' ' LEU . 3.2 m-85 -65.83 -46.47 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 61.13 110.91 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.43 -35.86 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.64 -34.73 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 60.13 110.935 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.57 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 72.35 111.102 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -85.68 -28.11 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 44.1 111.12 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.66 -27.3 27.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 61.23 111.143 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -103.21 -36.05 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 51.14 111.129 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.09 67.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 64.25 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.751 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 70.9 m-85 -67.37 169.19 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.916 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 77' ' ' THR . 1.4 t70 -82.36 -34.31 28.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 62.23 110.877 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.852 HD21 HD23 ' A' ' 80' ' ' LEU . 1.1 tt -141.98 125.99 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.908 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.692 ' O ' HD22 ' A' ' 51' ' ' LEU . 21.5 t -115.91 150.48 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.1 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 50' ' ' VAL . 4.1 mm? -131.47 118.61 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.898 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.4 t -126.68 162.59 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.21 111.13 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.823 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.821 0.343 . . . . 73.2 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.88 -31.15 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.891 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 39' ' ' PHE . 94.6 mt -49.99 -33.09 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 68' ' ' LEU . 69.0 mt -50.4 -38.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.1 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.114 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.82 -33.92 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.42 111.088 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.1 mt -75.7 -34.55 60.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 54.25 110.913 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.12 -51.08 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.92 -35.02 66.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.902 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.18 153.84 42.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.5 34.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 62.41 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.76 -32.26 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.13 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.29 -25.06 9.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.53 110.891 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.12 -35.7 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.44 -35.24 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 65.12 110.877 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 48' ' ' ASP . 98.4 m -52.78 125.92 39.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 64.41 111.124 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.806 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.5 Cg_endo -69.76 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 64.23 112.34 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' HD13 ' A' ' 80' ' ' LEU . 42.0 mm -100.11 132.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 71.42 111.121 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 49' ' ' LEU . 1.7 mm? -123.41 121.64 36.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.874 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.38 139.0 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 63.03 111.13 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 105' ' ' LYS . 5.5 mp -84.19 137.8 33.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 64.32 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 103' ' ' ILE . 8.1 t -125.51 163.85 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 52.41 111.16 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 t -119.5 -34.9 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.125 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.89 -70.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.37 5.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 72.14 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -109.47 -176.76 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 41.03 110.884 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -79.73 -38.09 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.87 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.51 70.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.1 111.104 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.0 -42.22 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -55.45 -36.03 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 54.31 110.877 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.8 71.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.092 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -61.42 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 71.21 111.069 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.68 -44.94 66.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 42.13 111.091 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -67.03 -35.58 80.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 73.13 110.846 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.09 -41.61 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.901 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.07 -37.31 72.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.142 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.72 34.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.85 136.58 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.4 111.12 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.1 m -53.92 -70.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 64.5 111.128 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.25 -178.87 16.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 53.21 112.52 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.26 165.32 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 74.1 110.897 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.725 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pp -149.88 170.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 64.51 111.118 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -102.99 133.94 47.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.886 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.69 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -99.36 158.39 32.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.537 0.684 . . . . 63.12 110.898 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.78 175.65 35.76 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 -1.803 . . . . 62.13 112.345 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.59 137.98 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.12 111.133 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 157.2 79.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 71.52 110.906 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.534 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.77 -36.01 11.55 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.703 2.268 . . . . 73.34 112.3 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.05 -40.31 51.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 34.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.36 -47.88 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 74.54 111.154 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.69 -47.06 67.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 71.11 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 109' ' ' PRO . 95.2 t -65.73 -35.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.12 111.171 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.831 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.4 ' O ' HG22 ' A' ' 118' ' ' THR . 59.9 mt -61.94 -35.1 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 61.51 110.909 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.72 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.6 t -84.29 -35.87 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.125 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.22 -53.3 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 30.04 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 115' ' ' LEU . 11.4 t -51.5 -33.3 31.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.118 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.806 HD13 ' HG3' ' A' ' 78' ' ' PRO . 8.6 mt -81.52 -35.75 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.55 110.954 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.826 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 71.43 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.76 101.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 54.23 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -85.69 -38.43 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 70.21 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 p -150.73 177.39 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.151 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.643 ' CD1' HD22 ' A' ' 22' ' ' LEU . 57.6 mt -147.21 145.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 61.03 111.114 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.801 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -128.52 128.42 44.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.942 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.556 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -132.97 139.9 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.32 111.087 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.801 HD11 HD12 ' A' ' 6' ' ' LEU . 3.3 mp -138.04 137.12 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.187 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -163.1 169.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.865 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -108.73 43.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 64.45 110.873 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -151.23 111.18 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.898 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.64 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 60.22 111.102 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 m -64.18 -52.16 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.31 111.159 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 ttp -65.28 -47.69 75.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.02 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.18 -36.55 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.911 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.75 17.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.53 111.119 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.495 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -56.72 -62.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.31 110.905 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.465 HD21 ' HB ' ' A' ' 107' ' ' ILE . 61.6 mt -55.75 -51.65 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.45 110.943 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.795 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.12 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.131 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.598 HG21 ' HA ' ' A' ' 109' ' ' PRO . 7.2 m -50.71 -42.03 56.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 52.1 111.149 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.643 HD22 ' CD1' ' A' ' 5' ' ' ILE . 7.7 mt -84.7 -35.0 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 73.13 110.913 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.65 54.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.077 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.85 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.913 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -21.05 66.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 60.14 111.081 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.35 -32.04 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 53.11 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -49.9 153.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 72.53 110.924 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 22' ' ' LEU . 3.5 t -96.19 158.57 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.168 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' HD22 ' A' ' 6' ' ' LEU . 95.0 m -143.26 110.6 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.53 111.185 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -95.8 138.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.137 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.4 -175.96 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.105 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.81 -35.61 26.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.66 169.18 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.808 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.781 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -61.95 -32.55 82.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.479 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -68.21 -44.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 54.14 110.869 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.06 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.135 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.45 -47.38 22.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 74.21 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 2.1 m-85 -64.89 -41.79 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 73.13 110.831 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.18 -38.29 73.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.44 -33.96 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 61.53 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.36 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.13 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.03 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 -27.5 26.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -102.69 -36.27 8.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 41.41 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 88.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 54.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 46.0 m-85 -90.64 175.94 6.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.867 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 -35.08 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.607 HD12 HG23 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -135.98 127.77 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.873 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.556 ' O ' HD13 ' A' ' 51' ' ' LEU . 21.8 t -120.58 138.37 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 53.33 111.12 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.0 mm? -123.53 110.25 14.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 51.44 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.635 HG23 HG23 ' A' ' 81' ' ' VAL . 3.8 t -112.54 141.4 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.131 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.871 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 73.43 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -51.46 -30.72 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.52 110.866 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.1 mt -50.54 -34.15 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.941 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 ' CZ ' ' A' ' 39' ' ' PHE . 75.9 mt -50.06 -40.72 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.55 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 35.02 111.115 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.41 -33.13 55.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 54.34 111.089 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 74' ' ' TYR . 10.9 mp -77.64 -33.69 53.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 74.3 110.904 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.4 ttt85 -62.35 -51.64 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.886 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.05 -34.76 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 61.5 110.908 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.37 152.88 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.23 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 t -95.12 35.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.51 110.807 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.74 -32.31 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 62.33 111.085 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.577 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.0 m-85 -111.7 -26.02 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.925 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -47.93 -35.44 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.095 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -34.36 24.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 75.51 110.878 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.432 HG23 ' HD2' ' A' ' 78' ' ' PRO . 84.8 m -57.11 133.42 80.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.7 . . . . 63.43 111.155 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 77' ' ' THR . 53.7 Cg_endo -69.73 114.92 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 52.32 112.318 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.51 116.41 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 73.12 111.088 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -107.15 117.26 33.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.671 HG11 ' CB ' ' A' ' 94' ' ' ALA . 11.0 p -104.53 133.39 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 62.32 111.145 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.659 HD23 ' CB ' ' A' ' 105' ' ' LYS . 6.1 mp -83.85 142.97 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.886 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.711 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 7.3 t -127.27 163.97 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 55.3 111.092 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 t -118.27 -34.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.3 111.167 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.5 -47.45 22.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 52.08 13.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.505 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 t -124.16 153.18 41.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 64.24 110.89 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -53.73 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.845 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.7 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 41.03 111.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.07 -36.19 80.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -63.52 -37.01 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.1 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.118 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.42 -61.6 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.24 111.094 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.671 ' CB ' HG11 ' A' ' 81' ' ' VAL . . . -52.32 -45.38 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.1 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -66.82 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.909 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 70.3 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.32 81.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 54.34 111.07 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.86 46.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.719 . . . . 61.03 112.51 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.21 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 63.42 111.088 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.8 m -89.88 -54.18 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.32 111.131 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -137.72 174.36 21.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 52.5 112.509 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.711 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.38 165.44 26.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 70.22 110.904 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 83' ' ' THR . 0.6 OUTLIER -150.53 169.78 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 62.44 111.1 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.32 125.37 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.659 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -89.24 157.7 47.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 63.23 110.901 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.82 176.01 34.49 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.656 -1.81 . . . . 71.32 112.354 -0.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.465 ' HB ' HD21 ' A' ' 18' ' ' LEU . 46.6 mm -104.26 142.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 62.33 111.15 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 158.67 48.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 71.24 110.836 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.598 ' HA ' HG21 ' A' ' 21' ' ' THR . 54.0 Cg_endo -69.75 -35.96 11.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.219 . . . . 75.0 112.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.3 -32.83 33.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 53.44 112.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.4 t -74.94 -33.29 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 62.33 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.98 -35.4 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.896 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.536 ' CG2' HG22 ' A' ' 21' ' ' THR . 94.0 t -79.72 -39.21 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.079 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.73 -32.84 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.05 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 118' ' ' THR . 17.6 mt -71.28 -37.83 71.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 53.44 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 22' ' ' LEU . 12.1 p -82.55 -33.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 70.42 111.135 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.97 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 62.24 111.15 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' LEU . 12.7 t -51.67 -32.69 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 51.23 111.149 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' HG3' ' A' ' 78' ' ' PRO . 32.1 mt -75.15 -35.91 61.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 71.52 110.905 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.865 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.715 0.293 . . . . 74.13 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.27 101.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 51.41 111.109 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -95.73 -57.37 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 62.41 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.9 p -124.27 160.16 28.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.146 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.625 ' CD1' HD22 ' A' ' 22' ' ' LEU . 75.0 mt -145.11 138.16 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -118.78 137.78 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 54.24 110.93 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -138.2 153.66 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.061 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.768 HG21 ' HA2' ' A' ' 35' ' ' GLY . 5.0 mp -141.11 122.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.133 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -153.42 160.58 42.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.886 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.11 -36.74 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 t -67.65 113.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 25.41 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.97 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.12 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.2 m -63.01 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 35.11 111.148 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.9 tpp -73.2 -37.98 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.867 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -64.37 -36.47 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.91 -48.39 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.23 111.103 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -53.13 -61.48 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 42.24 110.945 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.698 HD22 HD22 ' A' ' 112' ' ' LEU . 76.6 mt -55.26 -49.66 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.927 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.618 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.0 t-80 -54.75 -35.86 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.909 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -39.97 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 60.35 111.147 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -51.67 -59.65 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.096 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.625 HD22 ' CD1' ' A' ' 5' ' ' ILE . 31.3 mt -67.39 -35.82 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 62.34 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -52.62 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.24 111.132 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.65 -34.5 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.923 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.6 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 44.55 111.13 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.63 -33.41 5.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 74.14 112.455 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -53.4 154.18 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.343 . . . . 73.13 110.92 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -98.23 88.2 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 19' ' ' HIS . 4.0 p -95.65 139.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 72.45 111.092 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -132.01 131.39 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -96.43 138.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 64.55 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.71 178.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 75.01 111.063 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.39 13.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 65.43 111.111 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.36 148.96 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 65.25 110.904 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.768 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.18 -32.15 35.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 52.3 112.505 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.06 -47.66 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 73.31 110.887 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.16 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -50.03 48.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 71.41 112.473 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CE1' HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -67.39 -47.39 70.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 72.33 110.92 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.69 -35.69 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.34 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.92 -27.93 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.931 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.21 111.119 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.69 -29.56 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 -26.94 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 71.51 111.113 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -104.69 -34.83 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.116 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.99 86.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.41 111.053 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.734 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 29.7 m-85 -88.02 -179.87 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.937 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -87.93 -32.78 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.913 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 tt -143.78 127.29 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.902 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.648 ' O ' HD22 ' A' ' 51' ' ' LEU . 26.2 t -112.6 148.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.152 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.7 mm? -135.73 114.01 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.94 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 82' ' ' LEU . 6.3 t -130.86 144.58 51.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.153 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.469 ' OD1' HD13 ' A' ' 82' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 64.43 110.858 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.739 0.304 . . . . 74.3 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.41 -26.72 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.85 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -49.79 -30.1 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 41.44 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.455 ' HB ' ' HB1' ' A' ' 97' ' ' ALA . 49.9 mt -47.99 -35.54 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.52 111.09 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.19 77.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 43.52 111.098 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.19 -36.06 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 52.33 111.095 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 39' ' ' PHE . 8.3 mp -73.15 -35.27 66.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 65.22 110.908 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.86 -51.03 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.05 -35.22 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.887 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.85 153.77 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -95.79 33.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.83 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.99 -32.3 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.31 111.085 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -111.87 -22.63 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.35 110.934 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.11 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 62.5 111.05 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.54 -34.84 46.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 48' ' ' ASP . 30.0 m -59.56 133.06 88.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.571 0.7 . . . . 73.33 111.159 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 136.66 33.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.691 2.261 . . . . 71.35 112.367 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 38.9 mm -128.72 128.68 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 71.23 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -123.92 118.57 27.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.41 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 102' ' ' TRP . 13.6 p -103.88 134.07 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.088 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.471 HD22 ' HE2' ' A' ' 105' ' ' LYS . 0.7 OUTLIER -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 72.54 110.91 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.71 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 10.1 t -152.45 162.17 41.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.158 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t -103.88 -34.73 8.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 71.32 111.147 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.59 118.92 37.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.943 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.24 55.17 4.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 73.55 112.512 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 142.05 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 71.54 110.847 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.15 -36.52 82.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.866 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.37 93.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 62.01 111.093 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.02 -38.22 85.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.21 110.925 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -52.07 -36.69 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 73.1 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.69 -35.14 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 61.12 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -61.25 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 73.12 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.47 -44.69 62.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 43.34 111.065 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -69.24 -35.73 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.94 -41.77 92.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 73.2 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 65' ' ' ILE . . . -66.1 -36.51 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.15 38.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 73.14 112.459 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.84 139.02 35.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.381 . . . . 72.52 111.068 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -51.58 -64.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 44.4 111.131 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.87 174.89 30.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 74.4 112.524 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.71 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.33 164.85 28.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.801 0.334 . . . . 75.02 110.93 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 pp -144.13 160.29 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 50.4 111.096 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.68 129.45 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 52.43 110.871 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.74 160.02 83.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 51.02 110.893 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.78 161.82 85.46 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 -1.805 . . . . 74.04 112.349 -0.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.6 mm -113.05 137.4 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.44 111.15 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.67 152.07 59.41 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 74.04 110.896 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.54 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.79 -34.75 13.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 53.31 112.325 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.82 -38.07 60.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 34.31 112.511 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.18 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 65.53 111.124 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.698 HD22 HD22 ' A' ' 18' ' ' LEU . 9.0 tp -51.5 -38.29 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.877 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.555 ' CG2' HG22 ' A' ' 21' ' ' THR . 96.3 t -75.98 -28.68 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 62.42 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -69.27 -45.43 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.86 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.32 -38.84 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.533 HG23 HD12 ' A' ' 49' ' ' LEU . 11.4 p -84.48 -32.57 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.34 111.089 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.5 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 44.25 111.09 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.0 t -50.65 -32.67 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.51 111.157 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.53 -35.53 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.931 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 62.35 110.885 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.722 0.296 . . . . 72.43 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.538 HG23 ' CB ' ' A' ' 48' ' ' ASP . 89.0 mt -51.56 146.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 73.55 111.105 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -122.54 -35.64 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.2 p -143.43 157.45 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.132 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.9 mt -145.3 148.31 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 47' ' ' TYR . 1.3 tt -132.74 135.11 45.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.925 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.547 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -133.36 156.62 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.032 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.502 HG21 ' N ' ' A' ' 35' ' ' GLY . 3.8 mp -140.59 108.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 71.34 111.141 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.36 168.71 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.27 -58.22 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 63.54 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -54.46 128.7 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 54.14 110.87 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.1 111.115 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -62.69 -38.99 92.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.23 111.155 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.67 -47.99 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 52.52 110.894 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -52.01 -37.14 52.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.97 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.076 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -54.07 -62.16 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 112' ' ' LEU . 27.0 mt -58.11 -35.83 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.895 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HD2' HG13 ' A' ' 29' ' ' VAL . 13.0 t-80 -64.63 -36.15 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.868 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.5 -37.67 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 41.32 111.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.616 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -51.84 -61.39 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.153 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD21 HG11 ' A' ' 116' ' ' VAL . 13.6 mt -66.74 -36.58 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.97 -52.86 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 31.42 111.109 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.12 -34.45 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.917 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.86 -20.58 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 63.14 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.39 -33.54 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 62.41 112.452 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -54.28 153.86 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 74.15 110.882 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -96.64 78.21 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.41 110.926 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.6 p -84.36 136.31 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 73.51 111.133 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.7 m -133.22 144.43 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 54.23 111.14 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 m -111.23 139.51 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.88 -175.97 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 63.34 111.105 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -44.32 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.085 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' C ' HG21 ' A' ' 8' ' ' ILE . 6.2 m-20 -149.81 177.49 9.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 64.55 110.899 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -58.24 -33.04 68.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 24.54 112.513 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.2 -48.16 30.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 74.14 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.75 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.09 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.68 -51.41 6.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 55.34 112.521 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CE2' HD13 ' A' ' 62' ' ' LEU . 2.8 m-85 -62.27 -41.44 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 65.02 110.861 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.21 -44.36 83.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.8 -35.06 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 60.31 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.24 37.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 53.04 111.058 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.93 -29.55 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 54.13 111.122 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.56 -27.78 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 52.45 111.126 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -101.43 -35.19 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.05 111.133 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.13 84.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.35 111.097 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.611 ' CE1' HD12 ' A' ' 6' ' ' LEU . 59.3 m-85 -86.12 169.78 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.927 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -81.04 -35.35 31.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.879 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.893 HD12 HG23 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -139.3 137.28 35.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 62.3 110.947 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 51' ' ' LEU . 76.5 t -124.39 139.63 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.42 111.137 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.0 mm? -124.51 109.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.946 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.717 HG23 HG23 ' A' ' 81' ' ' VAL . 6.9 t -120.57 162.55 19.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.125 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.876 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 39' ' ' PHE . 4.0 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.775 0.322 . . . . 74.14 110.927 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.71 -30.19 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 62.25 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -49.47 -33.91 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.88 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.5 mt -49.96 -40.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 71.32 111.16 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.6 81.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 54.03 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.69 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.082 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 74' ' ' TYR . 10.3 mp -79.81 -34.99 39.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 44.4 110.912 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.4 ttt180 -65.72 -48.37 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.882 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.79 -34.52 65.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.03 156.98 38.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.45 35.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.41 -32.32 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 70.02 111.128 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.8 m-85 -111.14 -24.73 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 73.25 110.929 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -48.28 -38.34 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 54.21 111.078 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.92 -35.26 57.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 48' ' ' ASP . 78.3 m -53.86 125.61 47.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.588 0.709 . . . . 73.13 111.128 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.509 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.7 Cg_endo -69.75 91.0 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.698 2.265 . . . . 72.53 112.373 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.8 mm -81.35 136.2 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 79' ' ' ILE . 25.0 mt -128.68 115.06 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.931 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.717 HG23 HG23 ' A' ' 52' ' ' THR . 11.2 p -107.55 147.72 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 72.14 111.085 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 105' ' ' LYS . 5.2 mp -96.59 151.12 19.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.943 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.602 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 13.9 t -134.97 165.37 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.164 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.526 HG22 ' NZ ' ' A' ' 105' ' ' LYS . 70.5 p -96.66 -51.11 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 73.14 111.135 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -104.83 136.67 43.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.12 4.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 62.43 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -99.72 146.02 27.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 55.31 110.893 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.43 -36.44 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.85 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.08 -35.92 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 64.43 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.75 -37.48 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.903 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -51.95 -35.73 47.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 62.23 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.23 74.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 52.42 111.103 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.2 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.066 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.82 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 61.04 111.037 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -75.43 -35.85 60.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.79 -37.41 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 61.44 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.7 81.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.53 111.083 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.18 33.48 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 64.32 112.477 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.43 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 42.34 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -90.11 -59.34 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 65.52 111.113 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.93 169.96 23.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 53.23 112.474 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.602 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.52 164.3 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 75.13 110.949 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.08 169.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 64.23 111.137 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.46 115.33 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.526 ' NZ ' HG22 ' A' ' 84' ' ' THR . 3.9 pttm -77.52 157.57 79.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 52.23 110.922 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 175.69 35.55 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 -1.8 . . . . 71.45 112.328 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.425 ' CG1' HD21 ' A' ' 82' ' ' LEU . 28.9 mm -114.28 148.14 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 71.3 111.141 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.93 159.2 34.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 65.42 110.859 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.77 -33.03 17.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 74.12 112.39 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.95 -33.37 41.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 73.14 112.517 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 115' ' ' LEU . 92.1 t -79.77 -31.25 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.04 111.109 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.697 ' CD1' HD22 ' A' ' 18' ' ' LEU . 7.1 tt -72.0 -33.62 68.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 70.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.616 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.5 t -79.88 -43.2 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 61.43 111.161 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -32.18 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.846 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.408 HD12 HG12 ' A' ' 111' ' ' VAL . 15.9 mt -69.04 -39.27 79.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.933 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.893 HG23 HD12 ' A' ' 49' ' ' LEU . 9.8 p -82.14 -33.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.162 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.05 -55.21 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.096 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.7 -35.5 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.105 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 78' ' ' PRO . 28.5 mt -73.19 -39.41 65.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 50.55 110.967 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 61.45 110.832 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.707 0.289 . . . . 73.22 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.35 106.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 45.42 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -93.97 -50.39 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.856 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.26 166.34 24.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 72.04 111.113 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 49' ' ' LEU . 42.3 mt -145.44 149.19 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.04 111.138 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 30' ' ' THR . 29.3 tp -132.03 130.94 42.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.48 119.09 23.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.21 111.069 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.744 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.6 mp -109.69 108.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 63.2 111.152 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.97 171.97 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 62.12 110.837 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -104.41 -40.12 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -71.93 118.61 15.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.885 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.95 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.13 111.104 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -64.21 -44.56 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 71.05 111.159 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -65.89 -50.11 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.909 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -51.88 -35.93 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.882 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.24 -37.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.53 111.122 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.97 -61.03 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.643 HD22 HD13 ' A' ' 112' ' ' LEU . 17.2 mt -59.97 -35.59 75.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.939 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.541 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.6 t-80 -66.7 -39.07 87.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.88 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.061 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.527 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.2 m -51.46 -39.01 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 71.34 111.142 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.628 ' HB2' HG11 ' A' ' 29' ' ' VAL . 45.3 mt -83.68 -36.89 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.92 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.6 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.31 111.089 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -57.8 -33.75 68.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 63.13 110.946 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -20.82 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.076 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.63 -31.88 6.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 72.31 112.506 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.51 154.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 72.23 110.949 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.58 76.22 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 63.2 110.905 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.628 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.7 p -88.12 143.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 62.44 111.135 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 6' ' ' LEU . 27.5 m -141.94 149.12 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 63.31 111.128 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.99 138.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 42.53 111.098 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.26 -178.27 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.148 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.88 -35.79 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 72.51 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -152.19 160.13 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.884 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.744 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.14 -32.63 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 74.1 112.511 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.42 -52.29 23.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 41.23 110.906 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.96 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 52.15 111.089 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.59 -49.35 44.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 51.01 112.533 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE2' HG21 ' A' ' 52' ' ' THR . 0.8 OUTLIER -66.96 -48.91 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 61.2 110.892 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -51.77 -40.91 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.9 -33.35 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -26.25 27.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 54.34 111.103 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.88 26.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.123 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.53 -27.62 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 75.54 111.158 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.1 m -102.85 -36.31 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.25 111.114 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.1 78.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.034 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.499 ' CZ ' HG21 ' A' ' 45' ' ' THR . 89.1 m-85 -82.6 166.85 18.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.428 . . . . 63.01 110.886 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -81.14 -34.87 32.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 74.13 110.894 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -143.49 123.41 13.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 62.2 110.921 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.53 145.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 65.25 111.111 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.97 110.73 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 62.52 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.455 HG21 ' CE2' ' A' ' 39' ' ' PHE . 6.5 t -115.87 162.73 16.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 64.25 111.148 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.906 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.747 0.308 . . . . 75.2 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -51.67 -32.56 30.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.85 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.02 -33.1 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 54.53 110.907 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.38 -40.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.21 111.138 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.81 -39.83 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 55.43 111.105 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.615 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -75.25 -35.23 61.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 71.13 111.046 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.98 -33.33 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -67.62 -46.54 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.96 -35.69 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 67' ' ' ALA . 3.3 mt -70.01 146.03 51.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 63.23 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.9 t -95.57 34.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.22 -33.02 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.02 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.53 -26.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.91 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.26 -38.3 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 64.15 111.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.72 -35.56 57.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 48' ' ' ASP . 99.2 m -52.29 126.38 36.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.541 0.686 . . . . 73.13 111.14 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.631 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.7 Cg_endo -69.77 89.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 63.04 112.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -83.08 114.68 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.13 111.149 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.73 123.41 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.21 110.875 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.38 141.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 64.24 111.122 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 83' ' ' THR . 0.3 OUTLIER -83.44 151.33 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 63.54 110.907 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 103' ' ' ILE . 11.4 t -149.45 162.36 40.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 51.41 111.11 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.5 p -122.61 -34.79 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 63.02 111.11 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.99 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.1 41.95 4.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 74.43 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 51.3 110.861 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.36 -35.47 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 71.44 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.04 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.118 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -38.04 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.851 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -51.78 -35.62 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 74.22 110.891 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.99 82.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.41 111.106 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.11 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.44 111.062 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.67 -50.09 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 61.3 111.039 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.878 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.06 -43.33 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.124 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.89 36.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 74.12 112.475 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.29 163.03 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 64.41 111.092 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -86.67 -63.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.105 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.02 13.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 53.05 112.5 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.641 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.75 168.96 18.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 74.12 110.907 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.727 ' O ' HG22 ' A' ' 83' ' ' THR . 0.5 OUTLIER -151.03 159.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.121 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -112.99 117.77 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.875 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 mptt -75.22 159.3 82.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 75.23 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 166.2 74.64 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.664 -1.807 . . . . 75.45 112.393 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.404 HD11 ' HB ' ' A' ' 103' ' ' ILE . 36.3 mm -108.8 138.72 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 61.32 111.13 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.0 156.1 42.59 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.625 0.726 . . . . 74.5 110.843 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.503 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.79 -33.74 15.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 72.22 112.323 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.26 -33.31 64.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 61.12 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.89 -42.26 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 72.44 111.109 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.643 HD13 HD22 ' A' ' 18' ' ' LEU . 7.3 tp -61.65 -37.27 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.908 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.527 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.1 t -80.03 -28.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.31 111.108 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.33 -43.79 63.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 61.45 110.914 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 49' ' ' LEU . 1.3 pp -62.3 -34.52 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 73.05 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.2 p -84.6 -34.13 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.153 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.3 -53.96 30.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.08 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -51.69 -34.87 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 51.55 111.165 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 78' ' ' PRO . 13.5 mt -74.48 -46.95 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.95 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 65.23 110.879 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 72.21 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.408 HD13 ' OD1' ' A' ' 48' ' ' ASP . 47.3 mm -62.44 105.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.52 111.113 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -94.55 -45.57 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.881 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -141.04 161.56 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.139 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.569 ' CD1' HD22 ' A' ' 22' ' ' LEU . 60.5 mt -142.17 144.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.111 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.766 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -123.39 131.21 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.946 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.611 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -130.91 152.4 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 63.24 111.089 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 6' ' ' LEU . 4.8 mp -140.72 121.02 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 55.1 111.112 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.61 171.66 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 75.2 110.848 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -110.2 -37.71 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -72.72 119.93 17.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.814 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -38.16 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.112 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.42 111.133 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.7 mmt -70.69 -46.44 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -58.71 -36.85 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.04 -46.26 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 64.23 111.079 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.2 tm? -56.33 -62.2 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 64.04 110.953 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.52 -46.84 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.896 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.543 ' HD2' HG13 ' A' ' 29' ' ' VAL . 18.3 t-80 -57.55 -39.07 75.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 71.51 110.857 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -38.34 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 45.12 111.088 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.0 OUTLIER -53.77 -51.61 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.24 111.126 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 5' ' ' ILE . 20.2 mt -76.23 -36.94 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.66 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 54.43 111.041 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -55.64 -34.71 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.59 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 70.5 111.096 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.57 -35.78 4.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 55.21 112.53 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.98 154.82 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 73.12 110.914 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -98.32 86.56 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -97.24 143.63 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.145 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -134.31 141.1 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.83 139.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.098 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' A' ' 8' ' ' ILE . . . -97.41 179.88 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 64.42 111.097 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.0 -35.99 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 71.54 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.72 159.04 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.648 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.04 -32.75 35.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 74.15 112.487 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.26 -46.12 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.22 110.939 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.25 74.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.22 111.13 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.38 -51.27 13.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 62.13 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 3.6 m-85 -64.85 -49.76 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 74.14 110.861 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -52.13 -42.82 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -76.89 -34.66 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.75 -25.86 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.108 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.72 -28.87 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 62.11 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -27.93 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 51.43 111.152 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.49 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 4.6 m -101.47 -36.3 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.22 111.144 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.11 72.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 62.2 111.132 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.766 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 88.1 m-85 -74.42 172.79 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.935 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 77' ' ' THR . 0.7 OUTLIER -83.15 -35.16 25.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 71.52 110.842 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.921 HD21 HD23 ' A' ' 80' ' ' LEU . 1.6 tt -141.56 130.62 23.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.949 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.625 ' O ' HD22 ' A' ' 51' ' ' LEU . 23.5 t -111.45 148.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 63.41 111.15 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -139.62 119.6 13.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 64.31 110.937 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.909 HG23 HG23 ' A' ' 81' ' ' VAL . 3.0 t -126.09 151.18 47.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.13 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.858 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 72.24 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.708 ' OE2' HD22 ' A' ' 64' ' ' LEU . 1.9 pp20? -51.2 -31.36 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 64.4 110.836 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.708 HD22 ' OE2' ' A' ' 63' ' ' GLU . 2.7 mm? -50.46 -33.09 19.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 39' ' ' PHE . 47.0 mt -50.57 -35.09 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.43 111.113 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.0 -54.19 26.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.071 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -60.43 -33.68 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 63.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.84 -34.23 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.97 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -66.66 -43.38 84.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.89 -35.09 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 61.21 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 67' ' ' ALA . 3.1 mt -68.92 147.06 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 m -95.75 34.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.25 110.825 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.3 -32.75 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 50.21 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.77 -25.29 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.1 110.908 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.42 -38.52 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.33 111.129 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.99 -35.34 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 63.42 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP . 91.5 m -56.93 126.11 71.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.608 0.718 . . . . 72.42 111.184 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.723 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.2 Cg_endo -69.76 109.95 2.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 73.45 112.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.63 ' O ' HD13 ' A' ' 80' ' ' LEU . 48.7 mm -97.48 127.83 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.163 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.921 HD23 HD21 ' A' ' 49' ' ' LEU . 1.2 mm? -122.96 113.97 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.943 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 52' ' ' THR . 13.2 p -107.39 148.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 50.13 111.147 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 51' ' ' LEU . 5.7 mp -98.3 151.28 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 61.43 110.931 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.9 t -130.31 156.39 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.173 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.9 p -87.54 -36.36 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.172 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.91 144.3 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.29 55.25 5.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.514 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -91.94 144.91 24.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 73.53 110.911 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.87 -36.75 83.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 53.14 110.918 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.31 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.11 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.44 -41.2 89.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.841 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -51.88 -35.9 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.15 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.33 -61.23 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.09 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.62 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 63.45 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -67.91 -35.56 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.885 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.08 -44.13 97.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 41.45 110.883 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.43 84.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.066 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.7 42.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 53.13 112.516 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.84 143.95 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.03 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.1 m -73.58 -58.98 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.105 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.39 168.66 24.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 71.04 112.462 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.69 165.94 25.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 74.51 110.958 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.682 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.0 169.78 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 70.05 111.114 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.76 107.14 17.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 60.42 110.855 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.5 159.48 77.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 72.05 110.877 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 171.84 51.65 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.794 . . . . 65.31 112.366 -0.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.3 mm -116.03 144.37 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 65.4 111.152 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.98 157.94 38.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 64.44 110.889 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.1 Cg_endo -69.74 -32.79 17.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 60.45 112.351 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.97 60.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.472 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.43 -38.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 71.35 111.087 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 112' ' ' LEU . 3.1 tm? -63.29 -52.88 60.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 63.42 110.953 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.551 ' CG2' HG22 ' A' ' 21' ' ' THR . 97.6 t -60.48 -35.1 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.05 111.146 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.43 -35.89 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.841 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.28 -36.3 81.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.656 HG23 HD12 ' A' ' 49' ' ' LEU . 9.9 p -84.17 -34.68 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.108 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.23 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 43.33 111.077 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 t -51.54 -35.23 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.088 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.723 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.7 mt -79.29 -36.12 40.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.9 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.84 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.776 0.322 . . . . 65.14 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.487 HG13 HG12 ' A' ' 116' ' ' VAL . 44.9 mm -51.94 116.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 64.51 111.134 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.6 OUTLIER -102.06 -43.67 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.922 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.512 HG23 ' HD2' ' A' ' 3' ' ' ARG . 70.2 p -143.67 167.62 21.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.1 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.673 HD13 HD13 ' A' ' 22' ' ' LEU . 79.6 mt -142.19 144.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.095 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.698 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -126.91 131.62 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.937 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.608 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -139.56 148.82 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.139 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.727 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.4 mp -140.12 131.25 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 52.32 111.087 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -161.01 169.4 22.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 70.51 110.865 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.97 -49.74 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.888 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -54.14 104.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.881 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.86 65.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.053 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -61.67 -35.91 79.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.132 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.409 ' HE2' HD11 ' A' ' 18' ' ' LEU . 12.5 tpt -65.15 -55.1 20.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.908 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -52.71 -36.32 57.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.44 -39.08 85.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.116 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.64 -55.53 17.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.925 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.651 HD22 ' CD1' ' A' ' 112' ' ' LEU . 15.3 mt -60.81 -35.47 76.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.945 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -68.87 -42.18 77.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.831 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.73 -46.78 57.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.53 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 113' ' ' VAL . 25.2 m -50.99 -40.92 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.24 111.132 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 5' ' ' ILE . 15.8 mt -84.85 -34.86 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.946 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -51.02 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.24 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.08 -36.3 65.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -20.95 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 60.12 111.084 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.97 -31.24 6.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 51.23 112.495 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -50.64 152.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 63.32 110.941 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -103.0 92.8 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 22' ' ' LEU . 4.2 t -89.67 158.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 71.35 111.151 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.573 ' O ' HD22 ' A' ' 6' ' ' LEU . 92.6 m -146.68 109.8 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 62.44 111.172 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.48 138.59 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.114 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.47 -175.73 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.25 111.095 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -35.06 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.098 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -140.97 161.37 37.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.4 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.727 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -60.58 -32.85 79.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.484 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -69.3 -48.95 60.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 72.11 110.893 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.51 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.062 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.48 -43.89 23.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 43.13 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.5 -44.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 74.21 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -51.73 -35.46 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 54.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -84.55 -33.33 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.11 -26.18 26.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 53.22 111.071 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.93 -28.26 26.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 62.34 111.077 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.19 -27.88 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -101.86 -35.49 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 62.22 111.172 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.97 71.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 54.7 m-85 -68.87 176.06 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.937 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.433 ' OD1' HD13 ' A' ' 2' ' ' ILE . 0.8 OUTLIER -87.89 -34.32 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.868 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.832 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -142.89 123.96 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.922 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.625 ' HB ' HD12 ' A' ' 79' ' ' ILE . 41.3 t -113.31 147.64 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.101 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.54 ' CD2' HD11 ' A' ' 82' ' ' LEU . 3.1 tp -132.07 144.93 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 61.24 110.909 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.936 HG23 HG23 ' A' ' 81' ' ' VAL . 1.9 t -143.19 135.45 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 53.43 111.197 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.455 ' HB3' HD13 ' A' ' 82' ' ' LEU . 16.7 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.32 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.815 0.341 . . . . 74.23 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -51.63 -29.21 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.867 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -48.59 -34.65 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.613 ' HA ' HD12 ' A' ' 68' ' ' LEU . 81.1 mt -50.72 -42.83 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 62.41 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.95 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.23 111.113 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.14 73.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.22 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 65' ' ' ILE . 3.1 mt -78.46 -34.25 47.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 51.12 110.95 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -63.21 -50.63 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -56.0 -35.41 66.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.67 153.43 42.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 65.13 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.9 t -95.53 34.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 53.31 110.837 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.82 -31.91 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 44.52 111.069 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -112.38 -24.38 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.916 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.55 -36.4 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.6 -34.64 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.854 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.406 HG23 ' HD2' ' A' ' 78' ' ' PRO . 49.9 m -55.37 133.03 70.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.558 0.694 . . . . 70.32 111.111 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.742 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.8 Cg_endo -69.76 130.46 19.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 72.13 112.345 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' A' ' 50' ' ' VAL . 48.2 mm -129.87 125.79 61.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.17 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.832 HD23 HD21 ' A' ' 49' ' ' LEU . 2.9 mm? -117.82 120.58 38.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 65.5 110.93 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.936 HG23 HG23 ' A' ' 52' ' ' THR . 13.6 p -104.41 132.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.119 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 52' ' ' THR . 1.6 mp -84.36 151.98 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 71.34 110.938 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.748 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 9.9 t -146.09 156.56 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.126 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.5 p -109.47 -35.56 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.53 111.161 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.99 -74.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.54 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.63 40.68 3.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.506 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.57 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 72.42 110.852 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.1 -45.4 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.886 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.82 -38.04 54.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.12 111.108 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.65 -44.93 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.63 -35.92 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 71.11 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.05 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.52 111.081 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.34 -59.99 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 62.51 111.095 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.99 64.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.095 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -65.04 -35.24 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.846 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.881 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.35 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.125 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.24 33.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 55.24 112.507 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 134.49 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 63.22 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.5 m -53.93 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 74.24 111.169 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.97 -179.93 16.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 65.33 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.748 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.07 169.69 17.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 72.34 110.931 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.706 ' O ' HG22 ' A' ' 83' ' ' THR . 0.7 OUTLIER -149.8 162.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.14 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.38 136.18 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.648 ' CE ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -82.98 160.98 59.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 73.23 110.9 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.74 176.38 32.77 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 -1.809 . . . . 75.11 112.367 -0.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mm -112.89 138.02 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 55.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.82 154.6 39.81 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.642 0.734 . . . . 73.13 110.845 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.35 22.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 74.43 112.332 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -37.26 47.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 62.03 112.486 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.04 -46.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 74.13 111.108 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.651 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.9 tt -54.1 -55.65 25.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.949 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 21' ' ' THR . 85.8 t -61.09 -48.9 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.126 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -54.86 -39.92 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.26 -35.05 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.22 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.748 HG22 ' CD1' ' A' ' 49' ' ' LEU . 19.9 t -84.4 -35.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.4 -54.35 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.52 111.092 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.28 -34.58 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 71.11 111.135 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.742 HD13 ' HG3' ' A' ' 78' ' ' PRO . 12.8 mt -77.6 -35.91 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 24.43 110.881 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 ttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 64.41 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.07 113.74 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 72.15 111.123 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -89.7 -44.56 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.864 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.8 p -152.07 172.98 15.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.134 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.611 ' CD1' HD22 ' A' ' 22' ' ' LEU . 55.6 mt -142.75 148.73 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.129 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 HG13 ' A' ' 50' ' ' VAL . 11.0 tp -129.4 119.1 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 71.32 110.875 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -127.39 115.32 18.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.22 111.075 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.643 HG21 ' C ' ' A' ' 34' ' ' ASP . 3.6 mp -108.96 134.48 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.22 111.121 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -157.03 154.5 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 62.25 110.839 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.96 -42.39 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.832 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.67 112.69 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.874 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -35.57 44.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 35.34 111.107 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -64.91 -43.69 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 53.53 111.085 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 ttp -69.36 -49.66 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 62.4 110.89 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -51.87 -38.24 55.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.903 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.08 -44.2 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.066 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -52.41 -62.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 65.51 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.836 HD22 HD22 ' A' ' 112' ' ' LEU . 22.1 mt -58.84 -46.7 87.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.904 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -52.0 -43.85 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.843 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.22 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.098 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.522 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.2 m -51.13 -52.97 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.172 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.722 HD21 HG11 ' A' ' 116' ' ' VAL . 3.1 mt -78.4 -40.65 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -49.41 61.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 41.42 111.128 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -64.52 -32.49 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 62.24 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -20.85 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.4 -41.04 1.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 41.32 112.486 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' HD23 ' A' ' 22' ' ' LEU . 46.8 m-85 -51.87 154.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 73.34 110.899 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -104.6 104.43 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 40.33 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 22' ' ' LEU . 2.8 t -98.74 161.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 62.2 111.145 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -150.85 115.46 5.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.16 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 7' ' ' ALA . 17.3 m -95.35 138.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.42 111.158 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.12 -175.79 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 62.11 111.107 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.28 -35.09 59.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.096 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.643 ' C ' HG21 ' A' ' 8' ' ' ILE . 10.4 t70 -154.68 168.08 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 65.34 110.876 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.538 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -59.65 -32.3 73.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 53.23 112.497 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.89 -47.75 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 72.24 110.918 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.72 -49.75 28.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 45.42 112.439 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.488 ' HB3' HD21 ' A' ' 64' ' ' LEU . 1.3 m-85 -63.88 -48.69 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 53.32 110.853 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -51.08 -35.79 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.35 -31.02 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 62.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.89 -25.17 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 61.3 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.65 -26.1 30.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.129 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -28.04 19.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.436 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.9 m -100.98 -36.93 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.179 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.12 80.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.088 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' CZ ' HG21 ' A' ' 45' ' ' THR . 70.4 m-85 -82.56 -177.87 6.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.923 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.41 -31.86 11.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.43 110.879 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.831 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -143.78 124.47 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.15 110.906 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG13 HD23 ' A' ' 6' ' ' LEU . 21.6 t -119.65 140.83 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 55.23 111.145 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 8' ' ' ILE . 9.4 mt -131.73 130.94 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 42.13 110.885 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.44 HG23 HG23 ' A' ' 81' ' ' VAL . 9.6 t -131.97 162.71 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.53 111.118 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.856 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.2 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.763 0.316 . . . . 74.2 110.93 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -28.18 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 39' ' ' PHE . 4.0 pp -49.72 -31.05 10.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.893 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.503 HD11 ' CD1' ' A' ' 62' ' ' LEU . 45.4 mt -47.54 -35.05 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.5 111.094 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.31 -47.66 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.15 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 -34.21 72.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 54.44 111.118 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 74' ' ' TYR . 2.9 mm? -59.6 -30.93 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 60.13 110.934 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.1 tmt_? -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 51.43 110.868 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.54 25.08 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.918 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -18.05 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t 64.0 29.47 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.31 -34.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.071 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 68' ' ' LEU . 1.9 m-85 -111.75 -22.16 11.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 70.13 110.88 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -48.01 -40.13 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.14 111.109 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -76.7 -33.91 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 61.03 110.907 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.419 HG23 ' HD2' ' A' ' 78' ' ' PRO . 40.5 m -51.07 133.6 30.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 72.23 111.138 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.813 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.89 112.93 3.23 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.646 2.231 . . . . 75.43 112.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 80' ' ' LEU . 39.6 mm -113.28 132.69 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.23 111.114 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.831 HD23 HD21 ' A' ' 49' ' ' LEU . 1.8 mm? -123.3 118.34 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 71.53 110.886 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 102' ' ' TRP . 14.7 p -104.51 133.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 52.42 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 105' ' ' LYS . 5.9 mt -84.31 149.73 25.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 103' ' ' ILE . 1.6 t -126.34 142.04 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.136 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -51.72 -60.83 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.1 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -117.47 -49.28 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.41 50.21 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 72.23 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.99 147.82 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 61.22 110.883 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.65 -36.57 84.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.854 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.8 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 64.14 111.137 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.91 -36.51 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 61.45 110.925 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -51.77 -36.9 49.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 73.43 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.89 -35.53 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 43.25 111.098 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -60.07 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.093 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -47.69 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 53.55 111.141 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -65.97 -35.56 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.875 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.67 -41.97 87.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 65.53 111.119 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.99 33.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 62.35 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.55 143.9 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 70.02 111.074 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.9 m -57.19 -73.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 74.1 111.127 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.79 178.6 18.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 64.53 112.461 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.454 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.78 164.08 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 73.25 110.916 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.661 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.55 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 62.41 111.107 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.78 142.52 34.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 54.22 110.881 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.772 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -101.1 161.43 23.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.525 0.678 . . . . 75.03 110.922 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 175.42 36.5 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 -1.793 . . . . 75.4 112.339 -0.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.45 ' CG1' HD21 ' A' ' 82' ' ' LEU . 27.3 mm -115.99 140.53 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 53.54 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.55 154.99 73.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 72.45 110.845 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.79 -33.29 16.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 65.14 112.343 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -42.94 32.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 64.44 112.495 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.52 -50.11 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 55.11 111.138 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.836 HD22 HD22 ' A' ' 18' ' ' LEU . 33.1 tp -51.73 -51.02 59.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.935 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 109' ' ' PRO . 94.9 t -60.84 -34.26 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.2 111.144 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.83 -37.43 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 63.2 110.881 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.722 HG11 HD21 ' A' ' 22' ' ' LEU . 8.9 p -84.43 -33.81 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.111 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -54.11 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 21.31 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.46 -34.64 36.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 54.32 111.137 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.813 HD13 ' HG3' ' A' ' 78' ' ' PRO . 11.0 mt -79.13 -35.93 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 63.11 110.924 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.833 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.742 0.306 . . . . 64.22 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.461 HG21 HD11 ' A' ' 5' ' ' ILE . 50.3 mm -64.2 105.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.02 111.161 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -42.47 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 62.01 110.826 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.3 p -149.18 155.32 40.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.1 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.53 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.8 mt -134.93 146.19 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.156 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.597 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -124.61 129.96 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 54.43 110.923 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.549 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -128.15 125.93 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.086 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.597 HD11 HD12 ' A' ' 6' ' ' LEU . 2.8 mp -123.15 121.47 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 53.31 111.143 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -144.32 167.45 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.884 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -86.87 -53.09 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.869 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -64.93 126.08 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.855 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 52.33 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -57.77 -44.88 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.199 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 18' ' ' LEU . 9.7 ttt -58.69 -55.62 32.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 73.53 110.87 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -54.24 -36.14 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.45 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.72 -41.3 65.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 50.31 111.109 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.35 -59.64 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.911 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 112' ' ' LEU . 33.1 mt -51.6 -36.62 46.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.927 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.489 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.4 t-80 -63.37 -41.47 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.862 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.07 -42.64 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.147 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.3 m -51.92 -42.99 63.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' HB2' HG11 ' A' ' 29' ' ' VAL . 14.3 mt -84.04 -35.93 23.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.92 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -52.7 64.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.115 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.7 -34.46 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 61.12 110.909 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.6 65.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.26 -34.04 5.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 55.31 112.486 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -51.85 155.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 72.01 110.952 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -97.45 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.9 p -88.04 144.0 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.125 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.0 m -140.92 145.27 35.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 65.34 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.35 140.56 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 64.33 111.131 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.8 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 70.14 111.14 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.18 -35.79 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.22 111.107 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -152.7 166.14 33.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.887 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -53.44 -34.58 49.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 74.35 112.452 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -77.91 -36.85 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 31.05 110.896 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -60.8 -34.89 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.45 111.081 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.68 -47.7 7.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 62.25 112.441 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.89 -47.65 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 63.24 110.907 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.95 -40.05 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.9 -34.28 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.937 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -19.98 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.51 111.085 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.74 -22.7 59.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 73.14 111.118 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.82 -29.38 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 64.43 111.13 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -99.15 -42.93 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.116 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 91.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 61.24 111.107 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -88.41 162.32 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -34.86 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 64.53 110.845 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.4 OUTLIER -141.4 140.49 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.889 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' HB ' HD12 ' A' ' 79' ' ' ILE . 22.3 t -136.71 139.57 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.122 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 80' ' ' LEU . 13.1 tp -127.27 128.95 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.904 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.677 HG23 HG23 ' A' ' 81' ' ' VAL . 2.4 t -113.37 158.53 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 61.11 111.132 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.687 ' HA ' HD12 ' A' ' 82' ' ' LEU . 8.7 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.878 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 HD11 ' A' ' 65' ' ' ILE . 2.7 mm? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.794 0.331 . . . . 53.25 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.85 -28.69 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.01 110.887 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 tp -48.97 -33.08 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.888 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 68' ' ' LEU . 59.1 mt -49.71 -39.69 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 61.34 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.87 -42.33 75.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 65.55 111.115 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' HD23 ' A' ' 71' ' ' LEU . . . -61.09 -35.33 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.44 111.097 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 65' ' ' ILE . 5.7 mt -76.67 -27.09 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.11 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -94.86 24.32 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.52 110.972 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -100.31 -21.92 15.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 60.25 110.872 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t 64.36 29.67 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 45.11 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.51 -35.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 74.43 111.115 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -111.47 -25.56 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.858 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.83 -36.12 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 74.55 111.091 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.7 -33.48 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 53.22 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.466 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.0 m -50.76 134.15 27.61 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.592 0.711 . . . . 54.05 111.149 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.76 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.76 105.7 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.751 2.3 . . . . 72.45 112.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.587 ' O ' HD13 ' A' ' 80' ' ' LEU . 47.4 mm -110.11 135.61 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.112 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 79' ' ' ILE . 1.5 mm? -122.74 119.92 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 62.41 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.677 HG23 HG23 ' A' ' 52' ' ' THR . 7.2 p -104.48 142.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.102 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 105' ' ' LYS . 17.6 mt -84.08 149.94 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.588 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 10.1 t -139.28 164.4 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 63.44 111.162 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.6 p -99.66 -35.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 70.34 111.095 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -128.53 142.97 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.25 55.11 4.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 45.32 112.501 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.78 147.28 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 62.12 110.878 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.11 -36.67 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 71.0 110.83 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.9 -37.0 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 62.21 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.1 -42.27 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 75.51 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -52.04 -36.02 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 62.35 110.88 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.66 80.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 72.32 111.056 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.21 -60.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 72.4 111.073 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.486 ' HB2' HG11 ' A' ' 81' ' ' VAL . . . -53.66 -42.87 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 54.22 111.046 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -67.73 -36.08 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 53.11 110.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -70.55 -40.74 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.46 87.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 64.52 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.16 33.68 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 71.32 112.467 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.2 141.98 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 74.53 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -64.7 -66.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.151 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.73 -179.64 16.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 50.2 112.477 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.35 163.48 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 73.21 110.911 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 82' ' ' LEU . 1.2 pp -150.34 170.52 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.096 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -100.93 138.6 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.778 ' HB3' HD22 ' A' ' 82' ' ' LEU . 5.4 ptmt -103.4 158.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.562 0.696 . . . . 72.3 110.924 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.0 Cg_endo -69.68 175.66 35.43 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 -1.793 . . . . 75.35 112.356 -0.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.521 HD11 HD13 ' A' ' 103' ' ' ILE . 27.7 mm -110.96 149.94 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.069 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.94 158.17 42.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 70.34 110.909 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.556 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.9 Cg_endo -69.79 -36.77 10.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 52.13 112.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.34 55.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 75.23 112.513 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.6 t -79.06 -34.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 61.31 111.113 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 18' ' ' LEU . 10.3 tp -70.53 -40.89 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 64.35 110.935 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 21' ' ' THR . 91.0 t -72.51 -49.76 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 62.13 111.096 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.56 -32.89 69.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 118' ' ' THR . 10.7 mt -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.24 110.946 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 49' ' ' LEU . 37.5 t -84.21 -34.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 53.53 111.13 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.87 59.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.3 111.111 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 115' ' ' LEU . 12.4 t -51.43 -33.3 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 51.23 111.171 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' A' ' 78' ' ' PRO . 11.0 mt -84.73 -34.94 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 53.35 110.848 -179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 61.43 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 119' ' ' LEU . 49.6 mm -52.97 113.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 62.32 111.113 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.44 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -99.63 -43.2 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.22 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.44 HG23 ' HD2' ' A' ' 3' ' ' ARG . 72.4 p -143.98 159.91 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 61.32 111.175 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.442 ' CD1' HD22 ' A' ' 22' ' ' LEU . 72.5 mt -136.43 145.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 62.32 111.134 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -128.22 132.81 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.957 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.597 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -135.58 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 53.32 111.055 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.772 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.3 mp -141.17 131.09 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.119 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.49 171.22 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.05 110.881 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -106.3 -36.44 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -79.64 116.21 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.04 110.805 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.17 41.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.051 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -57.63 -50.1 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.152 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -51.63 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.02 110.866 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.04 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 71.22 110.847 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.98 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 43.15 111.098 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.9 tm? -61.46 -62.03 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 54.44 110.948 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.564 HD22 ' HG ' ' A' ' 112' ' ' LEU . 58.1 mt -56.99 -47.25 81.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.914 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -59.38 -38.84 81.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.867 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.49 -50.33 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.147 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.6 m -50.65 -45.47 57.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 53.23 111.124 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 116' ' ' VAL . 14.1 mt -77.12 -37.16 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 63.34 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.27 76.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 62.42 111.094 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -61.08 -32.65 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 -20.67 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.35 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.31 -32.41 6.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 71.31 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -51.98 154.23 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.05 110.945 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.0 100.67 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG21 ' HB2' ' A' ' 22' ' ' LEU . 3.3 t -97.95 159.86 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.583 ' O ' HD22 ' A' ' 6' ' ' LEU . 95.7 m -145.8 111.13 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 71.52 111.174 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.54 138.6 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 62.15 111.147 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.05 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.52 111.087 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.41 -35.06 17.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.096 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.05 162.86 35.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 70.31 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.772 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -60.6 -31.7 75.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 75.22 112.444 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.81 -42.48 81.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 71.34 110.89 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.23 -34.69 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 30.24 111.092 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.92 -50.41 13.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 60.31 112.516 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' HD1' HD23 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -64.43 -48.5 75.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 74.45 110.907 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.36 -35.4 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.09 -27.54 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.21 110.894 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.13 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 52.44 111.099 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.01 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 23.21 111.075 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -27.18 29.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 45.33 111.156 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -103.1 -34.46 8.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.86 91.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.099 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.583 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 30.2 m-85 -92.83 -174.89 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.941 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 -34.16 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.989 HD21 HD23 ' A' ' 80' ' ' LEU . 1.1 tt -140.9 132.93 27.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.523 ' O ' HD13 ' A' ' 51' ' ' LEU . 21.9 t -120.16 135.53 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.179 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.4 mm? -124.59 117.34 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.774 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -118.56 135.89 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.24 111.119 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.737 ' HB2' HD12 ' A' ' 82' ' ' LEU . 27.8 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.81 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.761 0.315 . . . . 70.24 110.933 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.95 -27.13 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 62.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.604 HD23 ' HD1' ' A' ' 39' ' ' PHE . 10.9 tp -50.04 -29.12 8.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.9 mt -47.22 -34.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.149 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.64 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.1 111.115 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.626 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -68.46 -44.49 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.4 111.089 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.469 HD22 ' CE1' ' A' ' 39' ' ' PHE . 9.2 mp -65.47 -32.22 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.91 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.19 -47.42 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.872 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -67.5 -34.67 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 70.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 67' ' ' ALA . 1.5 mt -64.88 150.73 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 31.44 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -95.3 34.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.858 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.65 -33.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 64.53 111.087 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.55 -22.72 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.1 110.969 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.62 -39.67 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 64.22 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.05 -34.74 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.01 110.914 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.6 m -58.19 132.36 84.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 74.22 111.174 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.1 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 74.34 112.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.593 ' O ' HD13 ' A' ' 80' ' ' LEU . 48.0 mm -113.15 126.33 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.2 111.088 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.989 HD23 HD21 ' A' ' 49' ' ' LEU . 1.6 mm? -123.4 114.41 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 65.21 110.943 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.774 HG23 HG23 ' A' ' 52' ' ' THR . 14.4 p -104.5 147.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.101 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 53' ' ' ASP . 9.5 mt -101.05 151.47 21.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 50.45 110.975 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.8 t -131.39 162.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 55.22 111.117 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.9 p -106.7 -41.38 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.141 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.42 -67.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.6 33.97 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.53 112.501 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.46 176.45 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 43.01 110.849 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.11 -36.79 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.857 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.97 76.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 71.43 111.12 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.51 -41.36 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.4 110.908 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -51.95 -35.86 47.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 54.11 110.877 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.96 75.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.55 111.051 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.73 -61.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.35 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.92 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.23 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.2 ttm-85 -73.32 -35.81 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.14 -44.1 89.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.873 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.31 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 52.24 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.43 32.88 1.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 41.22 112.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.5 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 43.23 111.124 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.2 m -59.79 -70.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.35 111.158 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.95 172.16 21.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 74.33 112.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.497 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -139.21 166.62 24.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 75.13 110.92 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -144.63 161.94 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.04 111.116 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -110.46 105.89 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -54.93 160.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 75.44 110.882 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.8 173.04 46.37 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 -1.798 . . . . 74.42 112.342 -0.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mm -117.11 145.0 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.34 111.164 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.28 156.76 37.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 63.2 110.867 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.461 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.7 -32.64 18.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 70.04 112.38 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.52 -37.66 62.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 61.11 112.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.42 -42.75 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 71.41 111.138 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.564 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.9 tm? -60.17 -54.39 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 43.11 110.893 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.529 ' CG2' HG22 ' A' ' 21' ' ' THR . 85.9 t -59.62 -46.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 71.43 111.119 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -54.88 -38.44 67.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 44.2 110.891 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.23 -34.25 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.918 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.739 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.4 t -83.13 -34.01 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.164 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.77 22.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 73.33 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -51.17 -33.7 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.143 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.524 ' HB2' HD11 ' A' ' 2' ' ' ILE . 11.5 mt -77.18 -46.88 21.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.912 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 54.15 110.908 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.721 0.296 . . . . 52.33 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -71.93 130.57 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 74.34 111.083 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -120.4 -48.66 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.867 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.43 150.38 46.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.118 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 ' HB3' ' A' ' 49' ' ' LEU . 72.9 mt -133.02 144.93 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.115 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 30' ' ' THR . 27.8 tp -128.57 138.69 52.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.919 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.402 ' H ' HD12 ' A' ' 6' ' ' LEU . . . -134.33 145.75 49.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 52.44 111.077 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.657 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.8 mp -141.03 108.42 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 75.33 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -127.01 169.92 12.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 63.32 110.858 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -95.16 -36.32 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.25 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -86.75 122.88 31.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.2 110.884 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.42 47.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 72.53 111.144 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.0 m -58.37 -47.05 85.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -49.44 69.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 51.2 110.892 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -36.44 51.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 70.43 110.843 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.03 -42.69 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 23.52 111.103 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.1 tm? -55.72 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.886 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 107' ' ' ILE . 50.3 mt -57.63 -36.15 71.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.934 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.574 ' HD2' HG13 ' A' ' 29' ' ' VAL . 12.1 t-80 -65.22 -38.49 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.32 110.862 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.17 -45.97 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 73.01 111.131 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.8 m -51.67 -47.58 63.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 60.41 111.127 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' HB2' HG11 ' A' ' 29' ' ' VAL . 28.5 mt -75.37 -36.81 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 64.22 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -53.01 63.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 51.21 111.08 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -56.45 -34.09 66.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.893 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.61 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.43 111.09 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.34 -33.13 5.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 53.32 112.462 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -52.36 154.4 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 71.4 110.908 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -96.11 80.53 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 53.02 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.3 p -90.66 143.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.143 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.608 ' O ' HD12 ' A' ' 6' ' ' LEU . 85.7 m -139.11 145.6 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.33 111.178 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -107.08 149.68 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 75.54 111.115 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.82 179.05 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 54.21 111.115 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.54 -35.64 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 71.25 111.139 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -151.52 155.63 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.657 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.3 -32.29 36.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.49 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.06 -48.28 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 73.34 110.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -35.05 78.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.061 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.39 29.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 74.12 112.469 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 74.25 110.874 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -52.33 -37.02 54.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.12 110.862 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -84.76 -33.29 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.66 23.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.097 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.86 -27.9 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 63.35 111.1 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -27.68 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 53.51 111.16 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -102.0 -36.43 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.22 111.173 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.73 74.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.111 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.58 174.56 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 60.52 110.913 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.54 -33.9 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 74.52 110.864 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.886 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -138.42 123.71 19.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.896 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.3 t -116.58 141.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mt -134.14 110.17 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 63.3 110.92 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.834 HG23 HG23 ' A' ' 81' ' ' VAL . 10.2 t -104.92 161.59 14.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.5 111.142 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.36 137.65 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 63.23 110.857 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.78 -177.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 61.34 110.903 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -141.01 63.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.921 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 ttt 63.43 67.99 0.96 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 74.22 110.894 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -170.76 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 73.13 112.331 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -135.55 -41.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.818 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.98 -169.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 52.33 110.894 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.0 m -89.06 -170.29 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 53.11 110.863 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.87 -79.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 72.14 112.474 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.6 mt -52.03 -33.89 40.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 43.11 110.933 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -50.77 -31.85 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 62.54 110.898 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 43' ' ' ALA . 15.0 tp -50.47 -32.62 18.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.92 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.752 ' HA ' HD12 ' A' ' 68' ' ' LEU . 43.7 mt -50.13 -35.34 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.102 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.13 -50.26 74.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 42.04 111.13 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.56 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.55 111.13 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 65' ' ' ILE . 6.3 mt -75.93 -35.02 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.925 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -67.83 -49.82 60.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -56.08 -35.93 67.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.19 154.67 40.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.924 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.56 35.12 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.843 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.49 -32.28 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.04 111.082 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -111.7 -24.64 9.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.898 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.44 11.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 64.32 111.107 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.93 -34.73 26.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.12 110.864 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.45 HG23 ' HD2' ' A' ' 78' ' ' PRO . 88.3 m -57.7 133.79 82.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 75.41 111.173 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.822 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.6 Cg_endo -69.79 134.28 27.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 72.23 112.357 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.509 ' O ' HD13 ' A' ' 80' ' ' LEU . 46.5 mm -130.04 128.03 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.54 111.113 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.886 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -122.1 118.03 27.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.862 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.834 HG23 HG23 ' A' ' 52' ' ' THR . 13.3 p -104.31 133.5 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.104 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.752 HD23 HD13 ' A' ' 103' ' ' ILE . 4.6 mt -84.14 151.12 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 54.42 110.919 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 103' ' ' ILE . 12.7 t -134.34 169.75 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 t -131.32 -39.41 1.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 71.52 111.119 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -73.02 -35.84 66.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.886 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.93 43.59 98.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 73.24 112.484 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.72 165.09 12.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 75.21 110.831 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -79.54 -36.38 38.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.862 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.81 79.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.33 111.095 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -61.5 -36.75 81.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -51.89 -35.81 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 53.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.32 80.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 64.33 111.101 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.99 -57.87 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 71.42 111.117 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.66 -43.07 62.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 41.12 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -70.28 -35.79 73.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -61.92 -44.02 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.29 -35.3 76.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.178 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.54 33.22 1.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 43.12 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.28 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 64.52 111.105 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.8 m -56.15 -71.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 71.21 111.12 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.21 -179.46 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.507 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.471 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.24 163.9 29.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.737 0.303 . . . . 75.53 110.93 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.752 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.86 170.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.277 -0.42 . . . . 63.34 111.158 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.92 132.58 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.75 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -88.98 158.26 47.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 74.12 110.858 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.1 Cg_endo -69.75 175.51 36.25 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 -1.804 . . . . 74.3 112.375 -0.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.586 ' HB ' HD21 ' A' ' 18' ' ' LEU . 26.8 mm -115.73 138.97 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 60.3 111.142 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.95 156.12 60.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 75.45 110.833 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.424 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.2 Cg_endo -69.78 -33.59 16.2 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 73.14 112.39 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.93 -33.04 65.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.798 -0.715 . . . . 64.35 112.493 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.5 t -80.9 -47.21 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 64.23 111.127 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 112' ' ' LEU . 3.0 tm? -58.35 -55.54 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.917 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.491 ' CG2' HG22 ' A' ' 21' ' ' THR . 84.0 t -58.19 -35.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 65.55 111.144 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.89 -38.22 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.05 -36.23 83.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.549 HG23 HD12 ' A' ' 49' ' ' LEU . 10.1 p -84.39 -34.67 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 72.05 111.125 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.46 27.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.24 111.094 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.33 -34.49 33.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.145 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.822 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.3 mt -79.11 -35.97 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.41 110.947 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 p -66.5 -39.13 88.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.847 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.8 153.58 83.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 75.12 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 72.14 112.367 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -122.5 147.56 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.2 111.084 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -170.48 69.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.52 111.083 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.912 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 70.25 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.801 HD11 ' HB2' ' A' ' 119' ' ' LEU . 41.6 mm -65.35 108.55 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 61.11 111.137 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -95.44 -41.86 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.863 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.5 p -144.43 159.35 42.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.119 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 22' ' ' LEU . 55.2 mt -141.84 147.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 63.42 111.123 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.951 HD23 HG13 ' A' ' 50' ' ' VAL . 2.6 tp -131.14 138.78 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.919 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -143.76 118.85 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.058 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 51' ' ' LEU . 2.3 mp -110.23 121.42 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 75.31 111.117 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.84 169.45 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.85 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.72 43.45 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 60.41 110.815 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -165.53 123.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.865 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -37.58 52.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.11 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -59.95 -49.84 76.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 73.33 111.124 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.405 ' HE1' ' HA ' ' A' ' 106' ' ' PRO . 1.5 tpt -68.95 -49.1 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.887 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HE ' HG21 ' A' ' 31' ' ' VAL . 26.3 mtp180 -53.88 -37.29 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.839 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 -44.93 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 45.24 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -53.33 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.1 110.94 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.722 HD22 ' CD1' ' A' ' 112' ' ' LEU . 39.5 mt -57.87 -49.45 76.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 61.23 110.892 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.615 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.3 t-80 -51.91 -36.98 50.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.907 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.55 -46.21 33.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.072 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 109' ' ' PRO . 1.1 m -51.17 -40.94 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.151 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.546 ' CD1' HG21 ' A' ' 5' ' ' ILE . 46.8 mt -83.92 -33.77 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.141 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.83 -37.29 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.933 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -20.7 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 72.44 111.089 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.88 -31.56 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 23.11 112.478 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -50.34 153.46 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 73.34 110.881 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -91.18 81.1 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.615 HG13 ' HD2' ' A' ' 19' ' ' HIS . 6.0 p -89.51 138.11 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 62.4 111.102 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -136.08 143.37 44.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 44.22 111.132 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG21 ' HE ' ' A' ' 15' ' ' ARG . 17.1 m -110.25 138.76 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 55.41 111.143 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.1 -176.04 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 55.11 111.078 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.63 -35.53 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.638 ' C ' HG21 ' A' ' 8' ' ' ILE . 39.1 m-20 -155.06 160.29 40.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 54.03 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.539 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.19 -32.06 35.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 64.14 112.503 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -69.42 -51.33 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.903 0.382 . . . . 61.32 110.921 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.29 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 65.24 111.093 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.23 -53.5 5.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 74.14 112.442 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 65' ' ' ILE . 7.7 m-85 -61.79 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 73.53 110.851 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.4 -39.91 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.83 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 mt -85.76 -29.46 23.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 64.14 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.46 -24.29 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.76 -28.3 28.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 71.22 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -28.08 21.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 55.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -100.16 -36.69 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 61.5 111.13 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.08 83.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.1 111.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -85.17 177.92 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.948 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.39 -34.1 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 61.31 110.873 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.823 HD21 HD23 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -144.49 124.13 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 51.12 110.912 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.951 HG13 HD23 ' A' ' 6' ' ' LEU . 66.9 t -119.48 141.98 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 53.21 111.164 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.669 ' O ' HD12 ' A' ' 8' ' ' ILE . 9.5 mt -129.97 131.06 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 71.12 110.891 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.603 HG23 HG23 ' A' ' 81' ' ' VAL . 14.8 t -130.61 162.73 28.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 61.05 111.166 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -120.69 -69.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.867 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.621 ' HG3' HD22 ' A' ' 62' ' ' LEU . 5.1 mm100 54.26 78.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 63.31 110.911 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -74.49 -70.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 62.42 110.918 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.6 mtt -73.44 160.42 82.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 73.2 110.871 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.8 19.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.665 2.243 . . . . 70.54 112.349 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -51.32 -35.68 39.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.01 110.87 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.15 88.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 70.44 110.905 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -92.35 -169.57 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 51.34 110.842 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.33 -33.97 5.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 64.44 112.473 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 54' ' ' GLN . 3.4 tp -51.9 -29.88 21.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.746 0.308 . . . . 74.53 110.892 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -50.8 -29.32 11.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.4 mp -48.9 -33.21 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 39' ' ' PHE . 77.2 mt -50.02 -40.77 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.23 111.124 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.08 -35.38 64.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.33 111.102 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -67.68 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.101 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.31 -33.65 28.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.14 110.906 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.36 -48.23 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 75.13 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -61.55 -35.03 76.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 52.41 110.923 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -71.76 148.9 45.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 44.43 110.888 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.6 p -95.38 35.74 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.47 -32.34 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 53.12 111.1 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -113.28 -27.47 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.909 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.96 -35.78 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 62.21 111.071 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -83.89 -34.06 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.15 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.444 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.5 m -51.71 133.63 36.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.549 0.69 . . . . 74.22 111.171 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.79 119.13 6.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 73.45 112.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' HD13 ' A' ' 80' ' ' LEU . 44.2 mm -121.08 131.46 72.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 64.22 111.15 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.823 HD23 HD21 ' A' ' 49' ' ' LEU . 2.0 mm? -122.03 119.39 31.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.24 110.956 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.603 HG23 HG23 ' A' ' 52' ' ' THR . 14.2 p -104.36 134.08 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 52.23 111.143 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 103' ' ' ILE . 1.6 mt -83.45 150.24 26.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 103' ' ' ILE . 6.3 t -130.52 162.78 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.142 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -117.83 -35.05 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.098 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.6 -35.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 73.14 110.912 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.86 33.01 82.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 52.15 112.515 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.87 161.65 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 70.44 110.819 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.52 -36.28 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.03 82.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.105 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -56.39 -38.52 71.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.862 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -51.89 -35.99 47.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.895 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.45 87.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 44.23 111.059 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.92 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 72.34 111.124 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -44.91 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.099 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -63.87 -35.69 81.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.9 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.07 -41.25 95.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.52 -35.15 78.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 72.1 111.104 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.46 32.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 71.22 112.47 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.58 143.46 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 61.12 111.104 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.4 m -59.07 -73.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.135 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.93 -179.1 16.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.481 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.454 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.37 163.15 31.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.769 0.318 . . . . 75.43 110.928 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.768 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -150.04 170.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.45 111.119 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.87 134.03 48.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 55.12 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HB2' ' HA ' ' A' ' 106' ' ' PRO . 2.1 pttp -96.01 159.12 32.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 65.2 110.914 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.7 175.18 37.39 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.729 -1.78 . . . . 62.35 112.296 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.1 mm -116.39 150.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.32 111.182 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.96 155.63 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.697 . . . . 64.45 110.937 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.502 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.9 Cg_endo -69.73 -34.0 15.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 71.14 112.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -70.76 -34.59 66.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 33.31 112.495 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.4 t -76.46 -49.52 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 72.42 111.108 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.722 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.8 tt -52.83 -58.36 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 62.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.437 ' CG2' HG22 ' A' ' 21' ' ' THR . 88.3 t -53.54 -35.89 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.31 111.123 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.56 -35.78 81.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.931 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.9 mt -68.74 -33.77 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 74.02 110.92 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.7 t -83.8 -34.05 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 21.44 111.169 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.69 -54.75 20.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 73.12 111.074 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.58 -34.63 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.079 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.801 ' HB2' HD11 ' A' ' 2' ' ' ILE . 13.8 mt -74.32 -45.36 47.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.932 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 p -63.61 -36.22 83.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.3 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.84 160.29 61.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 61.33 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -171.46 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.682 2.255 . . . . 55.04 112.358 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.05 147.95 8.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 51.52 111.132 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.9 49.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 63.21 111.088 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.5 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.875 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 73.4 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.734 HD11 ' HB2' ' A' ' 119' ' ' LEU . 46.9 mm -64.35 112.57 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.125 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -93.24 -58.71 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 61.25 110.883 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.28 164.51 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.112 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 49' ' ' LEU . 52.2 mt -139.12 147.89 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.754 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -130.16 130.92 45.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 65.01 110.935 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -130.89 145.77 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 70.43 111.103 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.754 HD11 HD12 ' A' ' 6' ' ' LEU . 4.7 mp -140.71 112.9 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.11 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.74 171.88 13.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.862 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -93.17 -52.5 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 65.35 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 t -67.29 120.72 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.904 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 -38.67 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 65.15 111.101 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.6 m -59.2 -37.38 77.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.1 111.1 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.35 -45.81 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 71.25 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -57.94 -37.48 74.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 73.33 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.78 -46.57 16.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 43.54 111.075 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.7 tm? -53.2 -61.92 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.791 HD21 ' HB ' ' A' ' 107' ' ' ILE . 6.4 mt -56.39 -48.17 77.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.929 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.55 ' HD2' HG13 ' A' ' 29' ' ' VAL . 16.2 t-80 -52.31 -41.48 63.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.873 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.54 -45.08 61.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 41.15 111.135 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.57 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.1 m -51.44 -42.51 61.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.5 111.175 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.776 HD21 HG21 ' A' ' 116' ' ' VAL . 27.9 mt -83.3 -37.0 24.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.934 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.79 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.07 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -55.85 -34.08 65.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 63.42 110.937 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.85 -20.65 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.23 -32.83 5.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 72.4 112.509 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -52.39 154.46 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 61.41 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -97.75 81.33 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 72.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -93.27 143.58 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 53.22 111.134 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.4 m -135.55 140.45 44.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 63.43 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -96.67 138.73 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 54.25 111.131 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 8' ' ' ILE . . . -100.22 -178.38 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.13 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -35.43 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 62.43 111.111 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.611 ' C ' HG21 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -156.86 164.66 37.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 62.33 110.892 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -51.91 -31.93 33.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 64.34 112.457 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.13 -52.49 23.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 64.11 110.908 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.37 68.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 72.43 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.04 -47.98 35.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 74.12 112.446 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 2.3 m-85 -63.71 -36.06 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 72.22 110.862 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.8 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.37 -23.54 59.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.111 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -14.61 59.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 53.33 111.062 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t -114.91 -28.59 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -110.24 -40.18 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.106 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.41 98.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 43.34 111.099 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 6' ' ' LEU . 26.8 m-85 -94.81 162.63 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 64.21 110.919 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 77' ' ' THR . 0.4 OUTLIER -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 62.42 110.896 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.749 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -136.06 136.55 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 60.5 110.922 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.33 136.62 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.44 111.112 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' A' ' 7' ' ' ALA . 10.0 mt -127.17 109.94 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.901 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.551 HG21 ' CE2' ' A' ' 39' ' ' PHE . 9.6 t -115.52 145.65 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.165 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HB2' HD12 ' A' ' 82' ' ' LEU . 27.8 t70 -100.17 85.69 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.1 110.922 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -67.86 132.45 47.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 62.33 110.87 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -115.86 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.4 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ptp -129.14 157.59 75.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.52 110.852 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.36 2.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 73.31 112.335 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -135.79 144.92 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 71.12 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.34 65.82 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 70.3 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.5 t -168.96 134.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 43.22 110.829 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.4 -80.46 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 71.12 112.46 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.15 -35.11 61.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 73.41 110.924 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -51.24 -30.88 18.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 72.24 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.35 -32.3 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.883 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.63 ' HA ' HD12 ' A' ' 68' ' ' LEU . 41.7 mt -49.3 -37.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.148 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.05 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 62.52 111.125 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.12 -31.51 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.091 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 65' ' ' ILE . 2.3 mt -80.08 -33.88 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.889 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -51.71 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 64.34 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.8 -35.02 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.939 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.48 150.28 45.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -95.2 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.18 -31.93 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 73.25 111.131 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -112.14 -24.78 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.916 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.75 -35.39 9.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 45.11 111.12 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -83.38 -35.12 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' ASP . 89.1 m -54.19 125.8 51.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 64.43 111.16 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.713 2.275 . . . . 65.01 112.314 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.687 ' O ' HD23 ' A' ' 80' ' ' LEU . 46.8 mm -102.86 143.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.149 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 79' ' ' ILE . 50.9 mt -134.81 117.6 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 71.41 110.941 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG13 ' HB2' ' A' ' 102' ' ' TRP . 14.7 p -104.38 134.85 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 70.13 111.16 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.695 HD23 ' CD1' ' A' ' 103' ' ' ILE . 3.6 mt -83.88 152.11 24.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.938 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -142.38 165.38 27.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 44.42 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 t -100.76 -35.12 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 75.41 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -131.98 148.81 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.63 55.28 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 54.25 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.3 t -85.05 125.65 32.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 72.32 110.822 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.72 -36.89 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 74.52 110.848 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.16 -37.92 72.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.14 111.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -65.18 -40.44 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.834 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -51.95 -36.73 50.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.91 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.66 81.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.102 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.98 -53.86 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 54.22 111.063 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.41 111.097 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -68.57 -35.9 78.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.915 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.0 -37.91 72.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 54.34 110.867 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.26 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 53.54 111.066 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.82 38.82 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 72.31 112.536 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.6 147.61 24.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 64.53 111.112 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -66.9 -61.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 65.21 111.158 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.82 174.12 25.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 62.34 112.478 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.47 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.98 163.67 30.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.758 0.313 . . . . 75.54 110.896 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.695 ' CD1' HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.9 158.9 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 64.01 111.085 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.65 132.03 50.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.919 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 11.0 mtpt -76.9 160.37 76.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 71.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.76 176.38 32.84 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 -1.817 . . . . 71.23 112.373 -0.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.791 ' HB ' HD21 ' A' ' 18' ' ' LEU . 31.5 mm -111.1 138.62 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 71.01 111.144 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.21 155.04 52.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 71.02 110.847 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.71 -31.88 19.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 75.02 112.384 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.14 -43.22 33.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 42.42 112.514 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -66.56 -47.01 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 74.34 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.787 HD13 HD22 ' A' ' 18' ' ' LEU . 7.2 tp -55.72 -42.78 75.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 70.04 110.881 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.57 ' CG2' HG22 ' A' ' 21' ' ' THR . 98.9 t -74.16 -35.49 41.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 61.43 111.147 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -62.87 -35.96 81.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 80' ' ' LEU . 94.5 mt -69.85 -33.39 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.909 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.776 HG21 HD21 ' A' ' 22' ' ' LEU . 21.5 t -82.0 -32.96 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.2 111.09 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.3 -55.71 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 51.45 111.081 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -51.26 -34.37 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.734 ' HB2' HD11 ' A' ' 2' ' ' ILE . 7.2 mt -73.64 -47.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 50.15 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 p -51.99 -35.97 48.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -102.01 155.87 35.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.685 0.755 . . . . 72.24 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 175.35 8.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 75.43 112.357 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -116.84 147.34 42.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 33.03 111.096 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.49 66.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.43 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.914 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 73.4 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.421 HG21 HD11 ' A' ' 5' ' ' ILE . 49.0 mm -60.7 103.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.152 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -92.82 -46.61 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 63.52 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.9 p -140.39 160.04 40.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 43.23 111.145 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 49' ' ' LEU . 57.0 mt -142.1 146.11 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.73 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -123.35 135.71 54.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.905 179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -135.4 146.82 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 52.44 111.117 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.73 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -140.64 114.94 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.01 111.141 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.0 165.52 24.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.858 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.42 37.05 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 51.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -156.19 122.43 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 61.23 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.7 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 43.35 111.083 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.4 m -63.76 -52.94 58.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 70.02 111.166 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.56 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.11 110.877 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' O ' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.98 -36.23 49.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 75.04 110.893 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.33 -36.85 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 73.43 111.078 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.97 -61.34 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 61.13 110.889 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.42 -35.18 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.922 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.528 ' HD2' HG13 ' A' ' 29' ' ' VAL . 15.8 t-80 -70.05 -39.13 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 63.2 110.88 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.17 -47.88 47.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.0 m -51.43 -44.59 62.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 62.33 111.149 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.682 ' HB2' HG11 ' A' ' 29' ' ' VAL . 20.7 mt -78.34 -38.31 42.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 70.33 110.922 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 52.1 111.079 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -55.78 -33.93 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 70.03 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.83 -20.64 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.098 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.2 -32.43 6.13 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.747 . . . . 60.33 112.489 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -51.91 154.44 2.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.87 0.366 . . . . 74.31 110.932 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.35 76.04 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 64.11 110.906 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.8 p -90.15 144.15 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 52.13 111.127 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.1 m -139.73 144.85 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 63.23 111.142 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG11 ' O ' ' A' ' 15' ' ' ARG . 17.0 m -100.04 154.21 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 72.31 111.151 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.77 -176.97 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 60.32 111.109 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.1 -35.67 15.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.45 111.097 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -153.47 163.04 40.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 61.04 110.893 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.572 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.4 -32.76 38.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 52.13 112.48 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -78.18 -44.98 24.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 72.5 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.04 74.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.081 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 -51.42 6.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 61.52 112.474 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.93 -46.68 86.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 73.13 110.911 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.77 -40.54 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 75.55 110.859 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.8 mt -80.49 -34.05 36.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.03 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.5 -25.75 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 31.22 111.104 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.85 -29.05 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.34 111.109 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -27.79 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.45 111.155 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.71 -34.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 54.41 111.16 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 88.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.32 111.112 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.718 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 62.6 m-85 -91.17 174.46 7.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.943 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 77' ' ' THR . 1.2 t70 -85.5 -36.04 20.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 73.13 110.859 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.629 HD12 HG23 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -138.25 140.33 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 44.23 110.897 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 t -120.36 149.21 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.092 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -138.63 116.02 11.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.91 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.746 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -123.34 156.96 34.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 61.5 111.174 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.825 ' HB3' HD12 ' A' ' 82' ' ' LEU . 22.1 p-10 -135.43 43.57 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 63.31 110.923 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -157.16 144.57 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.935 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -149.59 110.86 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 60.11 110.905 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -168.06 157.54 8.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.549 0.69 . . . . 72.45 110.878 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.62 21.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 74.42 112.356 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -169.35 154.66 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 70.53 110.87 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -71.83 -36.68 70.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 64.5 110.863 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.7 m -128.18 134.4 49.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.866 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.49 -128.28 5.69 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 54.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.3 mm? -52.04 -35.7 47.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 74.14 110.87 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.62 -32.16 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.876 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.6 mt -50.41 -32.9 18.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -50.11 -35.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 61.4 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.66 91.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.16 72.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.44 111.082 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.547 HD23 ' CD2' ' A' ' 74' ' ' TYR . 11.0 mp -79.42 -34.76 41.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 45.31 110.913 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -58.56 -52.07 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.34 110.837 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -55.87 -35.21 66.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 45.34 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.51 152.06 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.35 110.924 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -95.36 35.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.28 -32.16 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 52.33 111.081 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.547 ' CD2' HD23 ' A' ' 68' ' ' LEU . 9.7 m-85 -112.27 -25.87 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 75.11 110.931 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.39 -35.8 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.41 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.16 -35.43 36.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.886 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP . 87.3 m -54.19 125.71 50.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.525 0.679 . . . . 71.23 111.144 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.722 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.9 Cg_endo -69.73 92.45 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.709 2.273 . . . . 73.23 112.357 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.576 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.1 mm -80.77 139.31 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 72.43 111.118 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 79' ' ' ILE . 20.9 mt -126.87 118.44 24.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.923 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.746 HG23 HG23 ' A' ' 52' ' ' THR . 11.4 p -113.65 147.85 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.45 111.156 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' A' ' 53' ' ' ASP . 62.0 mt -94.29 151.23 19.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 55.42 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.0 t -133.0 145.51 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.155 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -94.53 -35.37 12.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 62.43 111.145 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -79.79 -70.94 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.62 39.32 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 61.13 112.518 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -113.38 166.91 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.876 0.369 . . . . 73.34 110.872 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.18 -44.07 97.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 54.24 110.898 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.17 -41.3 62.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.097 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -61.38 -41.7 97.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 63.01 110.902 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -52.0 -36.59 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.868 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.36 80.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 64.5 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.7 -59.42 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 -47.09 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.75 -35.61 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 72.14 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.9 -41.49 97.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.18 35.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 64.14 112.452 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.89 162.03 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 64.11 111.098 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 m -97.86 -56.51 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.21 111.137 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.6 166.02 23.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.507 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.88 164.64 29.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 65.33 110.905 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -145.36 169.77 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.14 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -108.21 101.0 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.842 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.528 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.35 155.89 89.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 72.21 110.893 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.72 167.33 71.32 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 -1.801 . . . . 65.33 112.341 -0.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.3 mm -115.84 149.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.34 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.27 157.93 47.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 73.11 110.887 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.78 -36.04 11.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.277 . . . . 62.5 112.315 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.03 -39.19 54.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 115' ' ' LEU . 93.6 t -68.54 -47.23 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 72.13 111.131 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.69 -54.39 42.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 70.43 110.909 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 109' ' ' PRO . 98.1 t -52.79 -35.17 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 75.23 111.148 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -70.54 -37.15 74.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' CD1' HG12 ' A' ' 111' ' ' VAL . 3.2 mp -65.43 -36.61 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.953 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.629 HG23 HD12 ' A' ' 49' ' ' LEU . 10.1 p -84.45 -34.5 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 53.43 111.118 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.71 -53.41 47.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 23.35 111.122 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -51.43 -33.87 32.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.166 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.722 HD13 ' CG ' ' A' ' 78' ' ' PRO . 9.6 mt -80.77 -35.96 32.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.3 p -65.97 -42.63 89.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.798 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -101.92 155.88 35.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 72.41 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -170.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 75.22 112.335 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.97 149.06 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 61.54 111.103 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -173.58 50.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 43.42 111.092 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 53.33 110.907 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 63.23 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 119' ' ' LEU . 42.2 mm -70.91 129.62 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 43.43 111.128 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -118.09 -46.65 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.822 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.1 p -137.34 162.74 32.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 44.43 111.149 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.7 mt -143.13 147.15 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.3 111.147 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -128.61 135.58 49.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.9 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -132.39 144.79 50.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.054 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.775 HD11 HD12 ' A' ' 6' ' ' LEU . 5.1 mp -141.26 112.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 61.5 111.11 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.37 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.883 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.78 78.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.891 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.89 112.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.869 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -51.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 65.21 111.087 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -55.45 -35.29 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.122 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.2 tpp -70.17 -49.75 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.23 110.888 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.604 HH21 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -54.59 -34.16 61.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.871 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.92 -35.28 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.21 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.55 -62.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.928 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.604 HD12 HH21 ' A' ' 15' ' ' ARG . 66.0 mt -52.07 -35.48 47.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.939 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.605 ' HD2' HG13 ' A' ' 29' ' ' VAL . 11.9 t-80 -67.23 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.9 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.55 -44.12 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 54.31 111.108 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.1 m -50.72 -42.91 57.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 62.42 111.12 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.576 ' HB2' HG11 ' A' ' 29' ' ' VAL . 18.8 mt -84.39 -35.11 23.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.904 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.0 -54.13 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 21.51 111.119 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -55.57 -34.12 64.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.55 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.82 -20.63 65.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.44 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.56 -32.37 6.84 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 64.35 112.454 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -51.86 153.88 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 72.42 110.939 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -94.95 76.09 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.887 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.4 p -84.43 144.01 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.03 111.11 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -140.5 137.34 33.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.159 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 m -96.4 161.96 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.55 111.124 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.0 -177.43 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.094 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.37 -35.34 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 54.11 111.104 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.37 160.42 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 60.11 110.871 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.629 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -51.87 -31.49 31.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.491 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -74.06 -47.14 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.38 . . . . 74.32 110.938 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -34.97 72.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.064 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.26 -45.16 11.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 73.21 112.514 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.41 -47.0 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.365 . . . . 74.13 110.896 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.42 -39.47 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 54.24 110.855 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.7 mt -83.19 -33.3 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.901 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.54 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.11 111.082 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.89 -27.77 26.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 40.23 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.49 -27.76 23.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 64.01 111.168 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.7 m -101.93 -36.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.126 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.69 75.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 61.21 111.156 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.727 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 66.9 m-85 -76.41 166.25 23.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.967 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 77' ' ' THR . 2.1 m-20 -82.15 -34.41 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.53 110.876 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.841 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 tt -141.7 125.11 16.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.881 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.581 ' O ' HD12 ' A' ' 51' ' ' LEU . 21.8 t -122.77 149.45 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 55.13 111.168 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 50' ' ' VAL . 5.3 mp -133.73 121.95 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.693 HG23 HG23 ' A' ' 81' ' ' VAL . 5.9 t -115.59 162.16 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 54.52 111.168 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' CA ' HD12 ' A' ' 82' ' ' LEU . 19.7 t0 -118.7 -50.67 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.921 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -55.92 142.45 35.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.915 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -115.76 84.31 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 61.02 110.875 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.0 ttp 52.28 68.03 3.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 70.33 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.533 ' CD ' HD23 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.743 2.296 . . . . 75.44 112.321 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 -179.2 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -59.87 -35.7 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.928 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.9 t -101.37 168.46 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 43.12 110.861 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.79 -107.95 3.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 73.02 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD23 ' CD ' ' A' ' 57' ' ' PRO . 4.5 mm? -51.65 -33.67 34.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.76 0.314 . . . . 74.25 110.913 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -51.77 -29.62 19.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 63.21 110.942 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 mt -49.37 -32.08 10.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 74.5 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -48.95 -34.8 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 64.04 111.114 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.05 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.13 111.107 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.515 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -66.6 -36.88 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.109 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.95 -33.92 76.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.889 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.18 -44.11 80.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 62.13 110.851 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -73.39 -35.72 65.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.954 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 67' ' ' ALA . 8.6 mt -67.95 146.13 53.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 71.35 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -95.35 34.77 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.13 110.86 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.6 -33.72 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.32 111.095 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.74 -27.49 7.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.904 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.4 -37.77 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 43.43 111.105 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -77.01 -35.51 56.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 48' ' ' ASP . 62.6 m -52.33 126.33 36.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 71.43 111.115 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.485 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.79 98.88 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 64.41 112.311 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 80' ' ' LEU . 46.5 mm -92.23 135.33 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 74.21 111.138 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.841 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -123.85 121.97 36.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.881 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.693 HG23 HG23 ' A' ' 52' ' ' THR . 11.9 p -104.21 140.54 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.2 111.167 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' A' ' 105' ' ' LYS . 1.8 mt -84.13 149.01 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.942 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 103' ' ' ILE . 15.1 t -144.44 172.77 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 61.54 111.145 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.3 t -134.39 -40.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 73.35 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -60.34 -74.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 70.03 110.836 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.47 38.04 2.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 75.51 112.483 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -115.88 134.22 55.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.1 110.845 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 4.0 m-20 -53.28 -30.72 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.8 73.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.126 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.25 -52.06 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 88' ' ' ASP . 9.4 ptmt -61.12 -32.82 72.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 74.24 110.912 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.97 -34.88 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.094 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.05 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 70.11 111.058 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.03 111.101 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -70.52 -35.79 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.52 -40.12 78.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.868 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.16 75.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.0 111.071 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.97 37.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 65.12 112.498 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.05 122.64 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 30.12 111.124 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.6 m -51.2 -55.94 15.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 61.13 111.17 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.89 -179.41 30.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 61.14 112.477 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.596 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.26 164.22 29.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 74.15 110.841 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pp -150.16 170.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.154 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -99.68 118.92 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.804 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.519 ' CB ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -91.12 160.08 38.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 35.55 110.894 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 Cg_endo -69.73 174.97 38.33 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 -1.809 . . . . 75.12 112.348 -0.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.433 HD11 HD13 ' A' ' 103' ' ' ILE . 28.9 mm -115.02 142.92 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 53.52 111.114 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.24 156.94 90.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 51.4 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.2 Cg_endo -69.82 -37.73 8.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 70.15 112.327 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.18 -33.2 57.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 71.11 112.488 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.37 -50.31 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 72.5 111.129 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.528 HD22 HD22 ' A' ' 18' ' ' LEU . 1.5 tp -51.19 -39.12 55.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.938 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 109' ' ' PRO . 88.3 t -69.51 -33.11 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.108 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 65.33 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.56 -42.39 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 5' ' ' ILE . 9.1 p -84.32 -33.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 65.11 111.174 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.51 26.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.091 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.38 -34.86 36.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.13 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.619 ' HB2' HD11 ' A' ' 2' ' ' ILE . 14.0 mt -74.64 -44.25 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 61.35 110.95 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -63.34 -50.53 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.825 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -83.25 153.6 66.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 73.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 64.15 112.379 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.85 152.07 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 53.42 111.115 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -177.79 55.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 71.2 111.118 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 44.13 110.914 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.724 0.297 . . . . 73.42 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.83 115.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.03 111.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -93.27 -44.32 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.8 p -150.88 167.03 28.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 54.22 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.457 ' CD1' HD22 ' A' ' 22' ' ' LEU . 53.2 mt -139.72 140.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.41 111.13 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.715 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -121.83 131.89 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.881 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB1' ' NH2' ' A' ' 15' ' ' ARG . . . -136.8 148.9 47.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 42.53 111.101 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.705 HD11 HD12 ' A' ' 6' ' ' LEU . 3.9 mp -140.7 138.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 61.34 111.1 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -159.62 169.98 22.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.898 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -88.18 -63.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 53.14 110.912 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -51.7 107.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.01 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 62.33 111.092 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.9 m -51.63 -35.43 41.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.154 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -59.05 -56.11 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.879 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.599 ' NH2' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -51.94 -37.2 51.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.892 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 45.12 111.101 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' HD22 ' A' ' 17' ' ' LEU . 1.6 tm? -73.98 -53.68 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.895 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.705 HD23 ' CD1' ' A' ' 112' ' ' LEU . 5.3 mp -60.39 -42.59 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.937 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.747 ' CD2' HG13 ' A' ' 29' ' ' VAL . 33.0 t-80 -54.92 -44.11 73.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.883 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 53.53 111.102 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -57.59 -58.23 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.129 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 116' ' ' VAL . 13.3 mt -71.14 -44.66 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 52.42 110.899 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.35 -54.8 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 61.43 111.123 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -57.04 -33.72 67.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.6 -20.75 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.21 111.129 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.72 -33.29 4.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 63.13 112.492 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -60.47 152.58 25.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 63.44 110.915 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -98.2 80.44 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 60.35 110.881 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG13 ' CD2' ' A' ' 19' ' ' HIS . 4.5 p -84.44 132.56 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 44.04 111.144 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.8 m -121.3 137.71 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.13 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -105.28 140.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 53.02 111.096 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.28 -175.96 2.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 42.52 111.108 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.94 -37.3 15.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 64.4 111.088 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' C ' HG21 ' A' ' 8' ' ' ILE . 6.1 t70 -151.53 163.03 39.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.914 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.16 -32.89 36.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 61.05 112.531 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.02 -47.84 41.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.861 0.362 . . . . 71.34 110.904 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.13 76.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 64.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.41 -50.67 11.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 35.33 112.487 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.67 -48.64 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 70.23 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.79 -37.08 50.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.868 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.48 -33.27 25.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.939 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.1 -25.91 24.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 63.24 111.106 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.75 -27.89 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.54 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.93 -27.81 24.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 74.23 111.138 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.467 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 5.5 m -101.87 -35.49 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.199 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.48 82.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 62.32 111.137 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.715 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 81.7 m-85 -86.24 174.58 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.955 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.89 -35.67 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 43.11 110.889 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.683 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -138.31 128.44 25.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.03 110.919 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.696 ' O ' HD22 ' A' ' 51' ' ' LEU . 24.1 t -113.73 142.41 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.137 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 50' ' ' VAL . 3.9 mm? -130.88 113.01 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 81' ' ' VAL . 2.7 t -119.52 159.45 24.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.12 111.151 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -132.54 -41.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.881 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -55.75 143.49 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.879 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -122.52 107.43 12.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -174.49 73.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 75.24 110.852 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.42 16.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 71.1 112.336 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -54.03 -36.4 62.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 74.42 110.859 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -96.74 -176.43 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.9 p -72.95 171.02 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.05 -79.64 0.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 64.12 112.485 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.57 -34.6 72.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 72.14 110.954 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.28 -31.94 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.892 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 68' ' ' LEU . 4.2 mm? -50.11 -34.27 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.901 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.1 mt -50.28 -43.63 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.51 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.79 -56.21 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.41 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 60.12 111.096 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 64' ' ' LEU . 9.8 mp -56.45 -34.26 66.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.932 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.14 -35.65 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 60.41 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -70.64 -42.17 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.61 149.84 48.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 61.51 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -95.63 34.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 65.41 110.859 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.84 -33.2 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 75.2 111.082 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -113.36 -29.02 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 71.42 110.97 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.56 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 52.25 111.087 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.61 -33.68 27.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.88 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.435 HG23 ' HD2' ' A' ' 78' ' ' PRO . 89.4 m -51.62 133.74 35.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 70.33 111.151 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.484 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 71.35 112.331 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.683 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.6 mm -103.42 141.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 71.11 111.165 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 79' ' ' ILE . 26.3 mt -131.71 115.02 15.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 75.34 110.906 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.674 HG23 HG23 ' A' ' 52' ' ' THR . 14.7 p -107.97 149.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.31 111.088 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 52' ' ' THR . 2.8 mp -97.93 151.34 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.911 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 103' ' ' ILE . 7.5 t -130.93 153.63 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 64.53 111.13 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.4 p -98.33 -36.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 71.32 111.132 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.73 -73.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 61.2 110.856 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.45 3.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 73.41 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -103.29 152.43 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 60.22 110.865 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -54.7 -39.69 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 55.54 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.29 74.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 51.23 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.27 -39.84 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -52.67 -36.39 56.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.913 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.13 111.132 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.04 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 71.25 111.08 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.57 -39.07 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 71.2 111.128 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -72.48 -35.75 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.3 -36.24 71.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.906 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.35 83.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 52.42 111.122 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.63 33.6 0.65 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 71.43 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.25 141.33 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 71.51 111.136 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.6 m -77.25 -56.46 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 70.43 111.129 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.49 167.4 23.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 34.24 112.496 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.56 164.78 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.714 0.292 . . . . 65.01 110.919 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.7 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.78 168.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 62.31 111.106 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.12 120.08 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -77.2 157.79 80.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 75.4 110.893 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.73 174.52 40.15 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.69 -1.796 . . . . 73.31 112.352 -0.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.4 mm -114.89 139.76 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 72.32 111.121 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.95 158.32 39.88 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.702 . . . . 72.52 110.919 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.1 Cg_endo -69.73 -32.84 17.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 21.25 112.338 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.76 -38.72 49.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 61.32 112.464 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.62 -40.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 73.41 111.142 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.705 ' CD1' HD23 ' A' ' 18' ' ' LEU . 7.7 tt -60.44 -56.53 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 109' ' ' PRO . 96.1 t -53.12 -35.83 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 72.45 111.101 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.52 -36.21 76.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.88 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.5 -37.52 87.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.941 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.683 HG22 ' CD1' ' A' ' 49' ' ' LEU . 23.8 t -84.38 -35.25 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.33 111.172 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.55 -54.83 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 73.33 111.141 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.8 t -51.66 -35.09 41.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 71.3 111.139 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 78' ' ' PRO . 37.0 mt -76.24 -43.91 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.902 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.9 p -62.31 -42.28 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.828 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -92.35 153.66 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.598 0.713 . . . . 74.23 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -171.05 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 62.24 112.317 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.1 156.6 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 53.44 111.069 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -176.69 56.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.092 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.869 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mtm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.725 0.298 . . . . 75.24 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.4 mm -90.67 125.99 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 71.02 111.176 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -108.67 -50.26 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.823 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.7 p -138.26 161.68 36.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.12 111.116 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.642 ' CD1' HD22 ' A' ' 22' ' ' LEU . 53.7 mt -142.84 143.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 61.52 111.164 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.765 HD12 ' CE1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -133.55 129.56 37.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 75.01 110.927 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.96 ' HB2' HD12 ' A' ' 51' ' ' LEU . . . -133.72 156.23 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.132 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 51' ' ' LEU . 3.9 mp -140.56 136.99 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 52.14 111.145 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.08 172.0 15.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 63.3 110.87 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -91.48 -61.14 1.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.859 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 m -54.05 102.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.886 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -35.78 52.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 61.42 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -62.6 -41.28 98.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 74.15 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.2 ttt -62.0 -56.94 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.889 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.435 HH22 HD13 ' A' ' 18' ' ' LEU . 5.0 mmp_? -59.97 -33.77 72.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.49 -36.99 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.5 tm? -72.7 -43.7 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.92 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.704 ' CD2' HD22 ' A' ' 112' ' ' LEU . 33.0 mt -70.51 -44.22 68.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.962 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.674 ' CD2' HG13 ' A' ' 29' ' ' VAL . 21.3 t-80 -51.77 -43.18 62.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.839 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.77 -35.4 78.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.05 111.133 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.558 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -59.14 -57.5 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.15 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.642 HD22 ' CD1' ' A' ' 5' ' ' ILE . 16.3 mt -67.87 -37.42 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.2 82.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.4 111.101 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mm-40 -63.93 -33.39 75.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.962 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.68 -20.59 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 42.24 111.065 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.07 -32.81 4.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 55.21 112.463 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -58.34 152.82 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.44 110.929 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.65 78.52 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 75.12 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.674 HG13 ' CD2' ' A' ' 19' ' ' HIS . 5.7 p -84.97 135.89 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.083 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -133.4 146.9 51.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 61.13 111.132 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 m -118.91 138.79 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 70.13 111.108 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.39 -176.37 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.093 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.52 -35.52 22.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.22 111.091 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' C ' HG21 ' A' ' 8' ' ' ILE . 8.3 m-20 -151.77 166.27 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 65.34 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.491 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -56.1 -34.15 61.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.778 -0.725 . . . . 71.32 112.48 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -68.43 -48.48 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 74.11 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -34.47 75.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.095 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.42 -45.2 11.47 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.755 -0.736 . . . . 54.35 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -65.91 -46.43 78.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 75.24 110.847 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.37 -36.16 61.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.63 -32.22 22.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 63.44 110.874 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.16 -26.07 25.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 54.0 111.108 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB2' HD21 ' A' ' 64' ' ' LEU . . . -85.21 -27.22 26.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 44.1 111.105 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.46 -27.76 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.176 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.424 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.2 m -102.51 -38.31 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.106 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.92 66.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 73.21 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.765 ' CE1' HD12 ' A' ' 6' ' ' LEU . 78.5 m-85 -67.19 160.35 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.35 110.946 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 77' ' ' THR . 1.5 m-20 -74.63 -33.83 62.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 62.22 110.809 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' A' ' 5' ' ' ILE . 1.1 tt -137.69 128.22 26.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.911 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 22.4 t -116.16 147.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.33 111.126 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.96 HD12 ' HB2' ' A' ' 7' ' ' ALA . 10.2 mt -138.4 111.47 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 71.12 110.91 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.6 t -121.56 162.73 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.51 111.131 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.43 178.69 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 72.02 110.872 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -129.51 35.44 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.923 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -129.16 70.46 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 52.35 110.851 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 mtt -124.62 160.48 53.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 50.55 110.856 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -42.32 3.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 75.34 112.312 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -149.03 169.69 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 71.41 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 80.7 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.913 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 p -71.19 -73.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.834 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.99 31.96 3.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 52.01 112.524 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.2 mt -90.16 -34.76 15.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.769 0.319 . . . . 53.2 110.915 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -55.49 -24.94 34.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 64.2 110.891 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 43' ' ' ALA . 11.2 tp -48.58 -32.78 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 41.01 110.918 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.591 ' HA ' HD12 ' A' ' 68' ' ' LEU . 66.3 mt -48.59 -39.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.11 111.132 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.17 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.44 111.058 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.95 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 53.14 111.055 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 65' ' ' ILE . 3.4 mt -79.94 -33.67 39.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.888 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.58 -51.86 68.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.837 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.95 -35.19 66.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.36 151.28 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 64.42 110.938 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -95.47 34.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.902 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.46 -32.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 72.04 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.88 -24.54 10.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.951 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.5 -35.12 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.51 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -84.87 -34.53 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.866 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 48' ' ' ASP . 38.0 m -51.7 128.12 34.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.533 0.682 . . . . 63.21 111.153 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 102.71 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 73.04 112.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' O ' HD23 ' A' ' 80' ' ' LEU . 49.2 mm -91.88 130.88 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.157 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 79' ' ' ILE . 21.4 mt -123.36 118.05 26.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.919 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.14 138.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 61.35 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.747 HD23 HD13 ' A' ' 103' ' ' ILE . 9.1 mt -83.9 148.12 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 62.45 110.922 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.649 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 15.4 t -146.51 175.23 10.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.133 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.495 HG23 ' HE3' ' A' ' 105' ' ' LYS . 17.8 p -127.68 -44.29 1.52 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 71.53 111.141 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -166.56 66.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.861 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.06 -21.29 13.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 62.12 112.512 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 t 63.25 179.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.382 . . . . 72.23 110.879 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.8 -34.64 28.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 71.34 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.53 -30.99 55.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 54.23 111.101 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -81.03 -35.11 32.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.87 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -50.72 -33.85 24.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.867 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.11 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 75.12 111.1 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.64 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.34 -36.15 76.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.02 -42.79 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.878 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.48 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.108 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.37 37.28 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 74.22 112.445 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.2 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 71.33 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.6 m -102.78 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.145 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.81 175.4 21.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 73.05 112.46 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.649 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.05 162.58 33.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.74 0.305 . . . . 74.1 110.935 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.747 HD13 HD23 ' A' ' 82' ' ' LEU . 1.2 pp -150.72 170.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.107 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -104.07 134.4 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.873 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.746 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -100.87 158.64 31.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 74.53 110.917 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.82 175.79 35.36 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 -1.798 . . . . 55.42 112.331 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 18' ' ' LEU . 24.4 mm -112.83 143.84 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 65.44 111.129 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.66 156.12 61.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 73.13 110.889 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.521 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.73 -34.79 13.97 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.7 2.267 . . . . 43.41 112.302 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.68 -35.79 62.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 71.42 112.474 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.2 t -83.45 -35.09 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 75.11 111.176 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 18' ' ' LEU . 5.8 tp -65.8 -36.76 84.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.558 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.2 t -80.23 -27.93 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.138 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -72.95 -43.28 62.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 112' ' ' LEU . 1.3 pp -63.44 -34.91 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 61.21 110.893 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.4 p -84.51 -33.96 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 63.11 111.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.29 -52.3 53.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 70.51 111.134 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 115' ' ' LEU . 11.1 t -51.77 -33.43 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.7 mt -82.06 -35.73 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.888 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 81.3 p -66.74 -49.38 66.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.12 110.897 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -103.56 153.62 38.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.666 0.746 . . . . 73.32 110.87 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -171.21 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 73.52 112.362 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.57 135.98 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 75.02 111.112 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -149.05 38.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 71.34 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.865 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 74.24 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.1 mm -60.33 98.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.149 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -95.33 -49.44 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 52.35 110.882 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 28' ' ' GLU . 34.2 p -132.37 160.37 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 72.42 111.137 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' ' 49' ' ' LEU . 56.9 mt -141.96 141.47 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.181 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -126.49 131.46 51.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.948 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.617 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -140.12 153.05 46.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 63.34 111.094 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.568 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -141.09 139.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.127 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -163.19 172.39 14.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.884 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.8 -53.49 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 75.03 110.835 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -61.76 101.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 31.12 110.875 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -35.67 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 62.02 111.062 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 m -62.67 -43.55 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.22 111.172 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.44 -57.04 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.2 110.898 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.502 HH22 HD13 ' A' ' 18' ' ' LEU . 5.0 mmp_? -59.5 -34.11 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.875 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.7 -35.5 78.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.108 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD13 ' C ' ' A' ' 17' ' ' LEU . 2.0 tm? -71.84 -53.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 61.51 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.765 HD22 HD22 ' A' ' 112' ' ' LEU . 10.8 mt -62.26 -40.28 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 65.54 110.948 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.631 ' HD2' HG13 ' A' ' 29' ' ' VAL . 9.7 t-80 -51.63 -42.41 62.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 53.25 110.802 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.11 -35.45 59.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 64.11 111.138 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.6 m -55.35 -42.56 74.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 60.33 111.12 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 5' ' ' ILE . 19.0 mt -83.85 -34.67 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.906 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.71 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 44.41 111.101 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.91 -37.97 67.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.76 -20.66 66.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.082 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.06 -33.37 5.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 75.42 112.474 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.75 153.62 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.21 110.951 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HB3' HG22 ' A' ' 4' ' ' THR . 7.4 tp10 -100.46 80.95 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.631 HG13 ' HD2' ' A' ' 19' ' ' HIS . 4.3 p -91.35 139.74 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.31 111.143 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -135.42 148.73 49.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.5 111.165 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.08 138.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.53 111.147 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.4 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.23 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.58 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 64.43 111.075 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -148.91 164.15 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.838 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.43 -32.82 64.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 62.15 112.473 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.87 -42.78 80.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 74.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.0 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 61.21 111.155 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.99 -47.25 32.34 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 64.23 112.475 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.51 ' HE2' HG21 ' A' ' 52' ' ' THR . 0.5 OUTLIER -70.36 -36.23 74.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 74.22 110.877 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.19 -49.04 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.04 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.64 -43.78 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 65.43 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.99 50.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.063 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.61 71.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 71.35 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.12 -31.35 6.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.156 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.6 m -79.83 -38.43 32.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.169 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.72 82.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 52.32 111.067 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -80.04 157.86 26.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -72.38 -35.25 68.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 44.53 110.854 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.618 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -137.56 134.25 35.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.905 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.64 150.08 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.21 111.152 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 80' ' ' LEU . 11.7 tp -139.65 129.7 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.895 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.2 t -149.03 148.61 29.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 51.34 111.125 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.612 ' OD1' HD13 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -104.2 158.13 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.851 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -33.43 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.858 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -62.75 103.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 63.1 110.925 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.9 mmt -147.47 157.85 44.41 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 71.43 110.868 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 73.41 112.321 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -83.63 -34.74 25.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.54 110.917 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -51.15 165.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.854 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.3 p -65.53 -172.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.21 110.9 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.08 -83.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 33.13 112.502 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.21 -33.6 41.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.332 . . . . 74.44 110.928 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -50.79 -30.78 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 65.43 110.897 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.8 mt -49.67 -33.73 16.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.954 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.6 mt -49.97 -40.1 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 70.13 111.094 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.21 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 63.25 111.099 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.97 -32.63 69.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.05 -33.68 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 65.04 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -70.37 -51.58 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 63.01 110.886 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -55.84 -35.12 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.917 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.01 152.51 38.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 t -95.16 35.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 61.34 110.871 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.46 -31.44 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 62.01 111.08 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -113.31 -24.73 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 71.43 110.901 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.31 -36.71 14.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 71.3 111.099 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.75 -35.61 44.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.885 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 48' ' ' ASP . 91.2 m -51.91 125.7 31.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.589 0.709 . . . . 72.1 111.14 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.77 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.6 Cg_endo -69.78 94.82 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 35.32 112.345 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 80' ' ' LEU . 43.3 mm -87.31 135.31 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 60.33 111.182 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.74 ' O ' HD12 ' A' ' 51' ' ' LEU . 21.7 mt -125.51 119.62 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.94 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 94' ' ' ALA . 11.6 p -108.81 135.15 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 65.44 111.121 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.716 HD11 ' HG ' ' A' ' 51' ' ' LEU . 2.2 mp -84.14 149.8 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.937 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.434 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 7.6 t -127.86 146.78 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 62.34 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -100.16 -34.48 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -90.08 -42.02 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.62 49.35 24.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 61.44 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.78 161.76 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 63.32 110.874 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.58 -37.8 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 74.5 110.874 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.34 86.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.53 111.156 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.17 -37.72 81.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -52.12 -35.83 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.942 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.02 82.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 53.23 111.077 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.23 -60.12 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 81' ' ' VAL . . . -52.01 -47.3 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.098 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -64.92 -35.61 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 54.43 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.66 -41.61 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.89 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.13 111.087 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.44 44.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 73.23 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.42 151.13 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 74.21 111.099 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.9 m -79.77 -64.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 44.21 111.163 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.81 175.42 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 41.43 112.512 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.434 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.01 164.03 29.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.711 0.291 . . . . 74.42 110.922 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 82' ' ' LEU . 1.1 pp -149.76 170.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 54.11 111.143 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.08 134.53 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.9 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.518 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 pttm -100.22 158.52 31.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 72.14 110.879 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.78 175.61 35.93 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 -1.802 . . . . 64.15 112.33 -0.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.84 141.42 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.119 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 157.79 57.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 73.21 110.886 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.503 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.76 -35.72 12.14 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.247 . . . . 75.13 112.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.61 -37.33 58.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 74.25 112.469 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.47 -46.64 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 54.21 111.144 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.765 HD22 HD22 ' A' ' 18' ' ' LEU . 5.7 tp -59.07 -60.35 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 62.21 110.919 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.529 ' CG2' HG22 ' A' ' 21' ' ' THR . 99.8 t -51.45 -35.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.42 111.093 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.5 -35.75 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.898 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.1 mt -71.85 -34.86 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.5 t -84.28 -34.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.096 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.59 25.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 65.44 111.105 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.26 -34.82 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.132 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.77 HD13 ' HG3' ' A' ' 78' ' ' PRO . 33.0 mt -70.78 -46.25 63.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.901 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.6 p -65.62 -52.89 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.42 110.82 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.1 153.77 81.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.634 0.731 . . . . 73.22 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.09 28.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 73.41 112.367 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.8 174.56 10.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 52.44 111.093 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.36 36.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.086 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.5 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 70.51 110.861 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.11 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.19 141.9 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -134.2 -46.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.21 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.111 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.592 ' CD1' HD22 ' A' ' 22' ' ' LEU . 64.4 mt -132.37 143.68 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.43 111.122 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.799 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -120.58 133.32 55.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 63.53 110.922 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.594 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -131.13 147.01 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.103 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.799 HD11 HD12 ' A' ' 6' ' ' LEU . 4.3 mp -140.62 108.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.139 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.15 171.41 14.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.897 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -103.36 -48.23 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -52.34 110.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 54.55 110.838 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.9 -35.8 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 40.41 111.102 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 m -70.16 -38.62 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.143 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.587 ' CE ' HD23 ' A' ' 17' ' ' LEU . 4.0 tpt -68.88 -50.83 46.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 60.34 110.922 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.49 -36.8 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 64.4 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.49 -44.97 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 64.21 111.112 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD23 ' CE ' ' A' ' 14' ' ' MET . 21.3 tp -62.2 -61.55 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.884 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD22 ' HG ' ' A' ' 112' ' ' LEU . 92.4 mt -51.44 -35.93 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 50.23 110.91 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.543 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.2 t-80 -63.38 -41.33 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.01 110.878 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.38 47.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 72.04 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.602 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.6 m -51.42 -44.02 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 64.52 111.097 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.592 HD22 ' CD1' ' A' ' 5' ' ' ILE . 7.8 mt -84.04 -36.37 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 72.14 110.897 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -53.02 62.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 71.23 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -55.84 -33.6 64.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.92 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.66 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 64.33 111.075 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 -33.28 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.0 112.505 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -54.79 154.26 5.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.41 110.894 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -98.97 80.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.4 p -89.51 143.7 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 53.14 111.137 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 92.4 m -139.36 137.83 36.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -96.97 138.88 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.33 111.066 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.32 179.26 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 33.31 111.111 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.07 -35.36 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 53.3 111.105 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -156.94 162.51 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.848 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.554 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.15 -32.19 35.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 45.31 112.467 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -71.71 -50.72 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 73.03 110.91 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.62 75.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 70.44 111.132 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.12 -52.18 9.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.22 112.48 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.16 -47.59 76.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 64.53 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -51.73 -36.13 45.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.896 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.81 -33.38 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 64.01 110.94 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.97 24.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 41.54 111.077 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.94 -28.37 25.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 64.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.14 -27.72 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 64.21 111.152 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m -101.98 -36.35 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.082 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.22 67.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 71.51 111.132 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.754 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 70.0 m-85 -68.13 174.56 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.909 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 77' ' ' THR . 1.4 m-20 -86.97 -34.56 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 63.34 110.843 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.984 HD21 HD23 ' A' ' 80' ' ' LEU . 1.3 tt -141.28 131.3 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.712 ' O ' HD22 ' A' ' 51' ' ' LEU . 23.3 t -112.6 148.65 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 41.31 111.12 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 50' ' ' VAL . 2.6 mm? -135.87 113.1 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 43.55 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.836 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -116.34 153.39 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.145 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -115.17 -73.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.852 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -66.44 132.76 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.935 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.9 111.67 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.893 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.5 mtm -145.75 160.91 42.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.703 . . . . 71.23 110.895 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 126.62 13.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 71.14 112.301 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -164.19 140.17 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -55.0 -37.7 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 62.12 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.4 m -125.51 155.62 40.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 35.42 110.875 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.2 -106.84 2.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 44.01 112.466 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.3 -35.08 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.318 . . . . 73.25 110.924 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -51.82 -29.74 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.842 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -49.19 -32.95 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 62.24 110.92 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 68' ' ' LEU . 54.1 mt -50.01 -36.93 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.158 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.92 -42.55 85.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.115 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.44 76.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 52.04 111.105 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HG ' HD23 ' A' ' 64' ' ' LEU . 7.7 mt -78.51 -34.53 47.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.893 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -51.88 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 65.31 110.85 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -56.19 -35.47 67.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.01 110.894 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.68 151.14 43.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 72.3 110.942 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.4 p -95.35 35.68 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.88 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.4 -32.28 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 35.33 111.065 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -112.85 -24.35 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.931 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.36 -38.93 20.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 73.33 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -75.89 -35.27 59.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 70.22 110.862 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 48' ' ' ASP . 85.9 m -57.94 126.34 76.61 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.582 0.706 . . . . 60.31 111.126 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.717 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.4 Cg_endo -69.71 117.51 5.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 74.21 112.37 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 44.3 mm -103.18 127.57 56.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.143 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.984 HD23 HD21 ' A' ' 49' ' ' LEU . 1.6 mm? -122.85 114.0 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.906 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.836 HG23 HG23 ' A' ' 52' ' ' THR . 14.4 p -104.58 146.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 65.42 111.145 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.82 151.53 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 103' ' ' ILE . 10.2 t -136.46 161.69 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.149 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.3 p -104.25 -45.05 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.04 111.203 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -74.48 -62.32 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 62.35 110.897 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 90.07 33.4 8.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.05 112.496 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.88 157.38 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 64.43 110.905 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.8 -36.1 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 63.21 110.882 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.04 84.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.108 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -58.89 -37.39 76.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.877 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -52.03 -35.84 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.896 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 72.34 111.109 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -57.24 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 74.3 111.097 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 -49.65 63.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 74.14 111.121 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -66.01 -35.62 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.887 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.81 -44.2 94.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.22 110.869 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.29 84.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 70.24 111.08 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.16 35.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 51.22 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.71 142.25 33.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 71.43 111.123 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.8 m -69.77 -67.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.172 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -132.0 170.76 21.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 63.23 112.489 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.591 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.66 166.53 24.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 73.12 110.898 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -143.76 167.22 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.51 111.101 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.2 128.72 55.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 65.55 110.878 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -74.96 160.5 80.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 71.52 110.882 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.8 176.87 30.98 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 -1.799 . . . . 62.55 112.335 -0.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.0 mm -110.6 140.92 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 61.04 111.153 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.58 156.13 35.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 72.25 110.858 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.3 Cg_endo -69.81 -31.03 21.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 71.33 112.308 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.22 -37.22 49.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.43 112.468 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.41 -46.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 71.44 111.142 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.677 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.9 tm? -56.07 -51.92 66.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 45.21 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.602 ' CG2' HG22 ' A' ' 21' ' ' THR . 84.2 t -63.4 -52.27 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 61.33 111.103 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.78 -36.06 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.8 -35.41 79.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 61.44 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.668 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.3 t -84.6 -35.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 53.43 111.128 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.73 -54.22 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.105 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.1 -34.61 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.114 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.717 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.4 mt -79.55 -35.82 39.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 54.45 110.967 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 p -62.45 -36.88 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 61.34 110.855 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.03 155.91 36.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.24 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.646 2.231 . . . . 73.45 112.359 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.15 149.83 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 64.43 111.11 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -165.72 52.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 35.41 111.126 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.918 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.803 0.335 . . . . 71.23 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mm -59.18 116.21 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.21 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.564 ' HD2' HG23 ' A' ' 4' ' ' THR . 2.6 tmt_? -102.71 -48.23 4.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.564 HG23 ' HD2' ' A' ' 3' ' ' ARG . 66.8 p -140.76 164.99 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 63.43 111.151 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.5 mt -142.04 143.57 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 71.02 111.108 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -123.53 137.19 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.916 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.544 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -137.6 147.7 45.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 71.24 111.079 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 6' ' ' LEU . 4.4 mp -140.9 128.48 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.42 111.093 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.17 161.83 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.893 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.15 -42.34 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 71.04 110.839 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 m -69.38 113.69 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.87 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.41 47.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.109 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -55.42 -49.7 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 44.55 111.139 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ttm -66.05 -46.91 76.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.829 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' O ' HG11 ' A' ' 31' ' ' VAL . 26.3 mtm180 -52.19 -38.11 56.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.904 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.7 -43.5 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 54.21 111.129 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -54.73 -62.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.868 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 112' ' ' LEU . 85.3 mt -57.38 -35.35 69.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.35 110.969 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HD2' HG13 ' A' ' 29' ' ' VAL . 11.9 t-80 -65.43 -39.1 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.823 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -47.66 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 41.12 111.072 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.497 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.5 m -51.2 -40.21 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 71.33 111.161 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD22 ' CD1' ' A' ' 5' ' ' ILE . 34.0 mt -82.91 -35.26 26.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.948 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.11 66.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 44.21 111.092 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -55.73 -37.48 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.52 -20.66 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.08 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.31 -31.52 7.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 65.01 112.465 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -50.43 153.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 73.23 110.903 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -93.01 77.51 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 61.43 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.9 p -85.36 140.18 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 55.22 111.158 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -140.84 131.96 26.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.119 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.415 HG11 ' O ' ' A' ' 15' ' ' ARG . 33.1 m -96.89 138.81 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 64.52 111.157 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.11 -176.74 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.14 111.094 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.11 -35.54 16.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 73.33 111.096 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' HG21 ' A' ' 8' ' ' ILE . 16.4 m-20 -155.59 164.97 37.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 70.44 110.853 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.527 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -52.33 -32.79 37.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 74.11 112.509 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -77.02 -48.21 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 72.14 110.912 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -35.14 72.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 50.44 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.39 -46.42 12.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 62.13 112.523 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.76 -47.68 74.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 73.43 110.859 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -52.15 -37.56 54.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.1 mt -84.02 -34.7 24.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.17 -25.56 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.096 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' HD11 ' A' ' 68' ' ' LEU . . . -84.92 -29.31 25.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.3 111.098 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 -27.8 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 70.43 111.158 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -101.43 -35.79 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.02 76.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 42.23 111.105 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.723 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 58.6 m-85 -76.94 173.99 11.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.94 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -35.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 63.04 110.904 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.795 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -142.78 121.91 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.917 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.437 ' HB ' HD12 ' A' ' 79' ' ' ILE . 22.0 t -113.72 149.52 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.41 111.149 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -137.8 110.21 7.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.933 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.674 HG23 HG23 ' A' ' 81' ' ' VAL . 15.2 t -109.23 162.66 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 63.41 111.161 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -114.41 150.02 35.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 71.42 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -52.52 170.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.914 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -165.0 143.63 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.95 160.63 1.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 71.11 110.869 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.57 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 54.51 112.333 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.13 -179.95 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 63.23 110.84 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.98 72.07 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -93.78 -176.31 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.838 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.68 31.96 6.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 70.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.1 -34.5 15.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 75.51 110.909 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -51.22 -31.38 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -32.35 14.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.4 mt -50.31 -35.57 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.166 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.62 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.22 111.061 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.57 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 63.42 111.112 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 43' ' ' ALA . 11.0 mp -78.75 -34.71 45.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.91 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 10.6 tpt180 -61.16 -51.31 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.01 110.838 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.07 -35.23 66.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 65.33 110.901 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.11 151.81 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 50.3 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.2 m -95.56 35.52 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.4 110.874 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.63 -32.25 4.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 75.12 111.094 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.07 -27.45 8.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.933 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -47.65 -35.74 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 25.34 111.115 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -85.01 -34.04 22.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.6 m -53.2 133.54 51.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.586 0.707 . . . . 55.42 111.122 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.736 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.1 Cg_endo -69.72 108.19 2.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 61.51 112.367 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.437 HD12 ' HB ' ' A' ' 50' ' ' VAL . 48.0 mm -111.24 126.43 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.133 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.795 HD23 HD21 ' A' ' 49' ' ' LEU . 2.6 mm? -118.28 120.79 38.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 64.32 110.908 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.674 HG23 HG23 ' A' ' 52' ' ' THR . 8.1 p -104.69 137.35 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.03 111.115 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.655 HD23 HG13 ' A' ' 103' ' ' ILE . 10.3 mt -83.71 147.6 27.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 54.12 110.904 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 103' ' ' ILE . 5.8 t -132.87 162.53 31.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.33 111.179 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.8 p -112.7 -37.07 5.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 61.35 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -72.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.875 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.69 33.32 4.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 73.41 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.9 t -117.4 179.9 3.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 64.13 110.862 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -72.36 -36.27 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 75.42 110.833 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.04 -37.59 54.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 70.32 111.132 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -73.3 -40.39 64.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.25 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -52.8 -36.31 58.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.9 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.76 81.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 53.23 111.098 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 71.23 111.099 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.17 -48.61 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.077 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -64.53 -35.78 82.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 72.1 110.889 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.46 -40.16 96.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 61.14 110.848 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.3 75.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 62.12 111.112 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 116.06 33.62 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 61.4 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.06 135.58 36.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 71.51 111.115 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.0 m -52.84 -69.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 51.1 111.165 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.43 -179.12 16.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 75.02 112.535 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.03 165.46 25.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.695 0.283 . . . . 74.34 110.978 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pt -150.36 165.87 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 74.22 111.137 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.51 108.44 19.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 72.43 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -73.72 159.86 83.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 71.42 110.911 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.73 170.41 58.48 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 -1.783 . . . . 72.24 112.398 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 28.6 mm -114.24 139.35 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.25 111.127 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.08 158.05 65.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.706 . . . . 74.13 110.842 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.434 ' HA ' HG21 ' A' ' 21' ' ' THR . 53.5 Cg_endo -69.82 -32.78 17.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 54.34 112.328 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.23 -33.4 61.9 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 73.22 112.485 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.72 -44.26 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 65.4 111.159 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' ' 18' ' ' LEU . 3.1 tm? -58.29 -60.17 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 63.2 110.936 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.497 ' CG2' HG22 ' A' ' 21' ' ' THR . 94.6 t -53.95 -35.77 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.134 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -71.11 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.98 -37.63 88.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 34.01 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.626 HG23 HD12 ' A' ' 49' ' ' LEU . 10.3 p -84.27 -34.54 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.118 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.35 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.04 111.11 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.82 -35.38 44.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 73.12 111.155 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.736 HD13 ' HG3' ' A' ' 78' ' ' PRO . 10.0 mt -77.04 -42.3 39.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 60.21 110.924 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.13 -46.17 90.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -91.47 153.68 44.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 71.12 110.884 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -171.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.254 . . . . 72.35 112.344 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.76 149.92 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 60.21 111.076 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.9 50.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.119 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.851 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 75.42 110.847 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.99 105.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.54 111.101 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.68 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -85.64 -60.43 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.87 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 3' ' ' ARG . 43.5 p -137.44 168.61 19.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.112 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.533 ' CD1' HD22 ' A' ' 22' ' ' LEU . 63.4 mt -139.51 145.12 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 73.34 111.163 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.879 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -126.75 134.54 50.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.932 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.636 ' HB1' ' NH1' ' A' ' 15' ' ' ARG . . . -133.95 144.28 48.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 64.04 111.101 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.879 HD11 HD12 ' A' ' 6' ' ' LEU . 4.0 mp -140.61 129.24 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 60.21 111.152 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -163.33 171.96 15.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.865 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -89.01 -53.11 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 63.44 110.839 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -62.96 104.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.2 110.879 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -37.25 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.108 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -60.41 -35.23 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.135 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.411 ' HE1' ' HB3' ' A' ' 106' ' ' PRO . 25.3 tpp -66.16 -56.69 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 44.43 110.887 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.636 ' NH1' ' HB1' ' A' ' 7' ' ' ALA . 4.7 mmp_? -60.89 -33.36 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.836 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.13 -35.16 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.2 tm? -71.74 -35.09 70.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 72.4 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.598 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -83.08 -34.98 26.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.938 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.623 ' HD2' HG13 ' A' ' 29' ' ' VAL . 11.8 t-80 -62.01 -35.99 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.838 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.18 -42.63 65.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.092 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.2 m -55.55 -59.06 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 75.11 111.12 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 5' ' ' ILE . 17.6 mt -63.12 -35.82 81.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 34.11 110.931 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.78 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 63.42 111.08 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -58.28 -33.38 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 71.45 110.936 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.73 -20.67 65.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 64.22 111.073 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.51 -32.96 5.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 64.04 112.509 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -51.67 154.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 75.15 110.911 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.519 ' HB3' HG22 ' A' ' 4' ' ' THR . 5.4 tp10 -98.57 81.57 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 74.14 110.857 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.7 p -90.37 143.68 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -134.36 154.92 51.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.169 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.17 138.76 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 63.24 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.31 -179.8 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.123 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.36 -35.59 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 62.41 111.092 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -145.4 155.67 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 65.22 110.83 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.676 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.22 -32.89 37.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 31.23 112.485 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -71.16 -50.07 37.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 63.22 110.902 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.03 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 64.34 111.118 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.67 -44.56 12.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 75.41 112.495 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.613 ' HB3' HD12 ' A' ' 64' ' ' LEU . 3.2 m-85 -65.83 -46.47 78.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 61.13 110.91 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -55.43 -35.86 65.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.64 -34.73 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 60.13 110.935 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.58 -26.57 33.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 72.35 111.102 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -85.68 -28.11 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 44.1 111.12 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.66 -27.3 27.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 61.23 111.143 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -103.21 -36.05 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 51.14 111.129 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.09 67.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 64.25 111.102 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.751 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 70.9 m-85 -67.37 169.19 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.916 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.665 ' O ' HG23 ' A' ' 77' ' ' THR . 1.4 t70 -82.36 -34.31 28.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 62.23 110.877 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.852 HD21 HD23 ' A' ' 80' ' ' LEU . 1.1 tt -141.98 125.99 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.908 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.692 ' O ' HD22 ' A' ' 51' ' ' LEU . 21.5 t -115.91 150.48 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.1 111.128 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 50' ' ' VAL . 4.1 mm? -131.47 118.61 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.45 110.898 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 54' ' ' GLN . 6.4 t -126.68 162.59 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.21 111.13 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -96.45 -42.26 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.823 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.623 ' HA ' HD21 ' A' ' 62' ' ' LEU . 52.6 mt-30 59.12 63.82 1.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 61.41 110.868 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -113.49 104.84 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 51.32 110.848 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 mmm 61.16 72.9 0.64 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.537 0.684 . . . . 73.45 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 140.55 42.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 54.54 112.375 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -133.08 36.26 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? 61.1 43.51 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.6 p -134.01 99.01 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 52.4 110.8 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.92 -60.28 4.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 72.43 112.51 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 54' ' ' GLN . 8.5 mp -52.6 -37.31 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 73.2 110.941 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.88 -31.15 26.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 74.35 110.891 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 39' ' ' PHE . 94.6 mt -49.99 -33.09 16.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 74.22 110.955 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 68' ' ' LEU . 69.0 mt -50.4 -38.66 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 71.12 111.1 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.114 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.82 -33.92 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.42 111.088 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.1 mt -75.7 -34.55 60.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 54.25 110.913 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.12 -51.08 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -55.92 -35.02 66.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.902 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.18 153.84 42.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.5 34.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 62.41 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.76 -32.26 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.13 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.29 -25.06 9.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.53 110.891 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.12 -35.7 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -81.44 -35.24 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 65.12 110.877 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 48' ' ' ASP . 98.4 m -52.78 125.92 39.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.558 0.694 . . . . 64.41 111.124 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.806 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.5 Cg_endo -69.76 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 64.23 112.34 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' HD13 ' A' ' 80' ' ' LEU . 42.0 mm -100.11 132.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 71.42 111.121 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 49' ' ' LEU . 1.7 mm? -123.41 121.64 36.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.874 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG23 ' HG3' ' A' ' 54' ' ' GLN . 7.2 p -104.38 139.0 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 63.03 111.13 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 105' ' ' LYS . 5.5 mp -84.19 137.8 33.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 64.32 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 103' ' ' ILE . 8.1 t -125.51 163.85 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 52.41 111.16 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.5 t -119.5 -34.9 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.125 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.89 -70.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.37 5.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 72.14 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -109.47 -176.76 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 41.03 110.884 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -79.73 -38.09 34.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.87 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.51 70.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.1 111.104 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.0 -42.22 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 73.13 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -55.45 -36.03 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 54.31 110.877 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.28 -38.8 71.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.092 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.84 -61.42 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 71.21 111.069 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.68 -44.94 66.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 42.13 111.091 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -67.03 -35.58 80.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 73.13 110.846 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.09 -41.61 96.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.901 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.07 -37.31 72.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 71.34 111.142 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.72 34.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 71.52 112.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.85 136.58 32.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 64.4 111.12 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.1 m -53.92 -70.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 64.5 111.128 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -139.25 -178.87 16.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 53.21 112.52 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.26 165.32 26.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 74.1 110.897 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.725 ' O ' HG22 ' A' ' 83' ' ' THR . 1.2 pp -149.88 170.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 64.51 111.118 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -102.99 133.94 47.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.886 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.69 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -99.36 158.39 32.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.537 0.684 . . . . 63.12 110.898 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.78 175.65 35.76 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 -1.803 . . . . 62.13 112.345 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.59 137.98 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.12 111.133 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 157.2 79.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 71.52 110.906 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.534 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.77 -36.01 11.55 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.703 2.268 . . . . 73.34 112.3 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -73.05 -40.31 51.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 34.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.36 -47.88 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 74.54 111.154 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.69 -47.06 67.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 71.11 110.95 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 109' ' ' PRO . 95.2 t -65.73 -35.68 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.12 111.171 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.03 -40.16 87.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.831 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.4 ' O ' HG22 ' A' ' 118' ' ' THR . 59.9 mt -61.94 -35.1 77.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 61.51 110.909 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.72 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.6 t -84.29 -35.87 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.125 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.22 -53.3 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 30.04 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 115' ' ' LEU . 11.4 t -51.5 -33.3 31.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 70.22 111.118 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.806 HD13 ' HG3' ' A' ' 78' ' ' PRO . 8.6 mt -81.52 -35.75 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.55 110.954 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 80.9 p -67.57 -49.14 64.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.826 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -101.63 155.87 35.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.616 0.722 . . . . 75.24 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 73.1 112.367 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.37 149.02 10.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.149 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -174.67 52.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 44.32 111.128 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.918 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 ttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 71.43 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.76 101.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 54.23 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -85.69 -38.43 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 70.21 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 p -150.73 177.39 10.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.151 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.643 ' CD1' HD22 ' A' ' 22' ' ' LEU . 57.6 mt -147.21 145.75 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 61.03 111.114 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.801 HD12 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -128.52 128.42 44.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.942 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.556 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -132.97 139.9 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.32 111.087 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.801 HD11 HD12 ' A' ' 6' ' ' LEU . 3.3 mp -138.04 137.12 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.187 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -163.1 169.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.865 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -108.73 43.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 64.45 110.873 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -151.23 111.18 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.898 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.64 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 60.22 111.102 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 m -64.18 -52.16 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.31 111.159 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 ttp -65.28 -47.69 75.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 63.02 110.893 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.18 -36.55 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.911 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.75 17.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 75.53 111.119 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.495 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -56.72 -62.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 71.31 110.905 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.465 HD21 ' HB ' ' A' ' 107' ' ' ILE . 61.6 mt -55.75 -51.65 66.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.45 110.943 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -51.8 -43.57 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.795 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.12 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.54 111.131 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.598 HG21 ' HA ' ' A' ' 109' ' ' PRO . 7.2 m -50.71 -42.03 56.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 52.1 111.149 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.643 HD22 ' CD1' ' A' ' 5' ' ' ILE . 7.7 mt -84.7 -35.0 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 73.13 110.913 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.38 -53.65 54.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.4 111.077 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -35.85 64.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 63.1 110.913 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.33 -21.05 66.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 60.14 111.081 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.35 -32.04 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 53.11 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -49.9 153.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 72.53 110.924 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' HB2' ' A' ' 22' ' ' LEU . 3.5 t -96.19 158.57 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.168 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' HD22 ' A' ' 6' ' ' LEU . 95.0 m -143.26 110.6 5.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.53 111.185 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -95.8 138.93 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.137 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.4 -175.96 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 53.43 111.105 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.81 -35.61 26.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -148.66 169.18 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.808 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.781 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -61.95 -32.55 82.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.479 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -68.21 -44.74 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 54.14 110.869 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.06 78.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.135 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.45 -47.38 22.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 74.21 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 2.1 m-85 -64.89 -41.79 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 73.13 110.831 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.18 -38.29 73.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.44 -33.96 25.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 61.53 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.04 -26.36 26.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.13 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.26 -28.03 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.11 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.94 -27.5 26.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -102.69 -36.27 8.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 41.41 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 88.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 54.0 111.062 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 46.0 m-85 -90.64 175.94 6.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.867 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.63 -35.08 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.607 HD12 HG23 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -135.98 127.77 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.873 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.556 ' O ' HD13 ' A' ' 51' ' ' LEU . 21.8 t -120.58 138.37 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 53.33 111.12 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.0 mm? -123.53 110.25 14.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 51.44 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.635 HG23 HG23 ' A' ' 81' ' ' VAL . 3.8 t -112.54 141.4 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.131 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -112.03 -35.98 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.871 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' C ' HD21 ' A' ' 62' ' ' LEU . 20.9 tp60 -51.51 163.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 64.13 110.914 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -149.79 175.5 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.949 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 mtp 56.53 73.79 0.77 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 72.25 110.866 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 95.89 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 70.23 112.376 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 ptt-85 -104.63 -36.03 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.4 110.89 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.0 -170.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.89 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.9 p -52.07 159.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.837 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.49 -107.7 2.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.73 -0.748 . . . . 54.44 112.501 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD21 ' C ' ' A' ' 54' ' ' GLN . 5.8 mp -51.67 -35.05 40.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.782 0.325 . . . . 73.43 110.899 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -51.46 -30.72 20.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.52 110.866 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.1 mt -50.54 -34.15 24.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.941 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 ' CZ ' ' A' ' 39' ' ' PHE . 75.9 mt -50.06 -40.72 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.156 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.55 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 35.02 111.115 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.41 -33.13 55.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 54.34 111.089 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 74' ' ' TYR . 10.9 mp -77.64 -33.69 53.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 74.3 110.904 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 4.4 ttt85 -62.35 -51.64 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.886 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.05 -34.76 66.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 61.5 110.908 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.37 152.88 42.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 65.23 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 t -95.12 35.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 73.51 110.807 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.74 -32.31 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 62.33 111.085 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.577 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.0 m-85 -111.7 -26.02 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.925 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -47.93 -35.44 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 63.45 111.095 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.78 -34.36 24.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 75.51 110.878 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.432 HG23 ' HD2' ' A' ' 78' ' ' PRO . 84.8 m -57.11 133.42 80.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.571 0.7 . . . . 63.43 111.155 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 77' ' ' THR . 53.7 Cg_endo -69.73 114.92 3.86 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 52.32 112.318 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.9 mm -111.51 116.41 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 73.12 111.088 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -107.15 117.26 33.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.671 HG11 ' CB ' ' A' ' 94' ' ' ALA . 11.0 p -104.53 133.39 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 62.32 111.145 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.659 HD23 ' CB ' ' A' ' 105' ' ' LYS . 6.1 mp -83.85 142.97 30.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 65.02 110.886 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.711 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 7.3 t -127.27 163.97 22.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 55.3 111.092 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 t -118.27 -34.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 71.3 111.167 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -76.5 -47.45 22.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.78 52.08 13.28 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.505 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.4 t -124.16 153.18 41.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 64.24 110.89 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -53.73 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.845 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.7 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 41.03 111.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.07 -36.19 80.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -63.52 -37.01 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.1 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 72.51 111.118 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.42 -61.6 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 71.24 111.094 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.671 ' CB ' HG11 ' A' ' 81' ' ' VAL . . . -52.32 -45.38 65.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.1 111.122 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -66.82 -35.41 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.909 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 70.3 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.32 81.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 54.34 111.07 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.86 46.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.719 . . . . 61.03 112.51 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.21 156.82 23.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 63.42 111.088 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.8 m -89.88 -54.18 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.32 111.131 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -137.72 174.36 21.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 52.5 112.509 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.711 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.38 165.44 26.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.734 0.302 . . . . 70.22 110.904 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 83' ' ' THR . 0.6 OUTLIER -150.53 169.78 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 62.44 111.1 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -105.32 125.37 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 75.24 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.659 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -89.24 157.7 47.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 63.23 110.901 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.7 Cg_endo -69.82 176.01 34.49 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.656 -1.81 . . . . 71.32 112.354 -0.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.465 ' HB ' HD21 ' A' ' 18' ' ' LEU . 46.6 mm -104.26 142.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 62.33 111.15 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 158.67 48.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 71.24 110.836 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.598 ' HA ' HG21 ' A' ' 21' ' ' THR . 54.0 Cg_endo -69.75 -35.96 11.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.628 2.219 . . . . 75.0 112.372 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.3 -32.83 33.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 53.44 112.433 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.4 t -74.94 -33.29 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 62.33 111.142 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.98 -35.4 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.896 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.536 ' CG2' HG22 ' A' ' 21' ' ' THR . 94.0 t -79.72 -39.21 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.079 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.73 -32.84 70.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 73.05 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 118' ' ' THR . 17.6 mt -71.28 -37.83 71.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 53.44 110.963 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 22' ' ' LEU . 12.1 p -82.55 -33.98 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 70.42 111.135 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.48 -54.97 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 62.24 111.15 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' LEU . 12.7 t -51.67 -32.69 30.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 51.23 111.149 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' HG3' ' A' ' 78' ' ' PRO . 32.1 mt -75.15 -35.91 61.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 71.52 110.905 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 94.0 p -74.5 -52.33 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -117.39 153.76 50.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 64.04 110.923 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 173.99 10.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.71 2.273 . . . . 63.42 112.347 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.75 150.74 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.113 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -175.15 41.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.14 111.088 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.868 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.715 0.293 . . . . 74.13 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.27 101.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 51.41 111.109 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -95.73 -57.37 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 62.41 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.9 p -124.27 160.16 28.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.146 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' CD1' HD22 ' A' ' 22' ' ' LEU . 75.0 mt -145.11 138.16 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.131 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -118.78 137.78 53.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 54.24 110.93 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.543 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -138.2 153.66 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.061 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.768 HG21 ' HA2' ' A' ' 35' ' ' GLY . 5.0 mp -141.11 122.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.133 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -153.42 160.58 42.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.886 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.11 -36.74 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 t -67.65 113.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 25.41 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.97 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.3 111.12 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.2 m -63.01 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 35.11 111.148 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.9 tpp -73.2 -37.98 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.867 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtm-85 -64.37 -36.47 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.91 -48.39 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.23 111.103 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -53.13 -61.48 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 42.24 110.945 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.698 HD22 HD22 ' A' ' 112' ' ' LEU . 76.6 mt -55.26 -49.66 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.927 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.618 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.0 t-80 -54.75 -35.86 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.909 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -39.97 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 60.35 111.147 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -51.67 -59.65 4.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.42 111.096 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.625 HD22 ' CD1' ' A' ' 5' ' ' ILE . 31.3 mt -67.39 -35.82 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 62.34 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -52.62 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.24 111.132 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.65 -34.5 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.923 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.6 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 44.55 111.13 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.63 -33.41 5.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 74.14 112.455 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -53.4 154.18 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.343 . . . . 73.13 110.92 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -98.23 88.2 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 19' ' ' HIS . 4.0 p -95.65 139.37 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 72.45 111.092 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.8 m -132.01 131.39 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -96.43 138.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 64.55 111.122 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.71 178.22 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 75.01 111.063 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.39 13.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 65.43 111.111 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.36 148.96 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 65.25 110.904 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.768 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.18 -32.15 35.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 52.3 112.505 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.06 -47.66 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 73.31 110.887 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.16 79.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -50.03 48.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 71.41 112.473 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CE1' HD22 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -67.39 -47.39 70.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 72.33 110.92 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.69 -35.69 43.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 54.34 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -86.92 -27.93 23.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.931 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.21 111.119 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.69 -29.56 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.065 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 -26.94 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 71.51 111.113 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -104.69 -34.83 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.116 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.99 86.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.41 111.053 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.734 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 29.7 m-85 -88.02 -179.87 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.937 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -87.93 -32.78 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.913 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 80' ' ' LEU . 1.4 tt -143.78 127.29 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.902 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.648 ' O ' HD22 ' A' ' 51' ' ' LEU . 26.2 t -112.6 148.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.152 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 80' ' ' LEU . 1.7 mm? -135.73 114.01 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.94 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 82' ' ' LEU . 6.3 t -130.86 144.58 51.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.153 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' OD1' HD13 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -84.57 165.85 17.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 64.43 110.858 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -151.25 99.96 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 64.44 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -135.86 66.04 1.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 70.34 110.89 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.9 mtt 59.38 69.0 1.4 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 75.03 110.933 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.89 68.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 60.22 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -125.61 -39.49 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 70.44 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -142.52 56.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.925 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.8 t -115.34 171.18 7.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 62.31 110.851 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.94 35.51 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 61.43 112.514 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.95 -26.74 48.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.739 0.304 . . . . 74.3 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.41 -26.72 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.85 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -49.79 -30.1 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 41.44 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.455 ' HB ' ' HB1' ' A' ' 97' ' ' ALA . 49.9 mt -47.99 -35.54 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.52 111.09 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.19 77.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 43.52 111.098 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.19 -36.06 71.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 52.33 111.095 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 39' ' ' PHE . 8.3 mp -73.15 -35.27 66.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 65.22 110.908 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.86 -51.03 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.05 -35.22 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.887 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.85 153.77 42.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -95.79 33.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.83 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.99 -32.3 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.31 111.085 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -111.87 -22.63 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.35 110.934 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.3 -40.11 16.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 62.5 111.05 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.54 -34.84 46.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 48' ' ' ASP . 30.0 m -59.56 133.06 88.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.571 0.7 . . . . 73.33 111.159 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 136.66 33.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.691 2.261 . . . . 71.35 112.367 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 80' ' ' LEU . 38.9 mm -128.72 128.68 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 71.23 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 49' ' ' LEU . 1.9 mm? -123.92 118.57 27.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.41 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 102' ' ' TRP . 13.6 p -103.88 134.07 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.088 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.471 HD22 ' HE2' ' A' ' 105' ' ' LYS . 0.7 OUTLIER -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 72.54 110.91 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.71 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 10.1 t -152.45 162.17 41.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.158 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 t -103.88 -34.73 8.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 71.32 111.147 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.59 118.92 37.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.943 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.24 55.17 4.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 73.55 112.512 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 142.05 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 71.54 110.847 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -62.15 -36.52 82.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.866 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.37 93.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 62.01 111.093 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.02 -38.22 85.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.21 110.925 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -52.07 -36.69 51.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 73.1 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.69 -35.14 77.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 61.12 111.072 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -61.25 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 73.12 111.085 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.47 -44.69 62.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 43.34 111.065 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -69.24 -35.73 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.94 -41.77 92.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 73.2 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB1' ' HB ' ' A' ' 65' ' ' ILE . . . -66.1 -36.51 83.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.103 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.15 38.86 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 73.14 112.459 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.84 139.02 35.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.381 . . . . 72.52 111.068 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -51.58 -64.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 44.4 111.131 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.87 174.89 30.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 74.4 112.524 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.71 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.33 164.85 28.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.801 0.334 . . . . 75.02 110.93 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 83' ' ' THR . 1.1 pp -144.13 160.29 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 50.4 111.096 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.68 129.45 55.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 52.43 110.871 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.74 160.02 83.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 51.02 110.893 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.5 Cg_endo -69.78 161.82 85.46 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 -1.805 . . . . 74.04 112.349 -0.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.6 mm -113.05 137.4 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.44 111.15 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.67 152.07 59.41 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 74.04 110.896 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.54 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.79 -34.75 13.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 53.31 112.325 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.82 -38.07 60.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 34.31 112.511 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -71.18 -52.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 65.53 111.124 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.698 HD22 HD22 ' A' ' 18' ' ' LEU . 9.0 tp -51.5 -38.29 53.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.877 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.555 ' CG2' HG22 ' A' ' 21' ' ' THR . 96.3 t -75.98 -28.68 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 62.42 111.145 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -69.27 -45.43 69.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.86 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.32 -38.84 69.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.533 HG23 HD12 ' A' ' 49' ' ' LEU . 11.4 p -84.48 -32.57 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.34 111.089 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.5 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 44.25 111.09 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.0 t -50.65 -32.67 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 61.51 111.157 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.4 mt -86.53 -35.53 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 65.33 110.931 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 p -59.51 -43.24 93.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 62.35 110.885 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -106.03 154.9 39.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.685 0.755 . . . . 75.32 110.86 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -171.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 60.03 112.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.39 148.42 27.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 70.22 111.107 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -161.95 -45.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 51.33 111.083 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.881 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.722 0.296 . . . . 72.43 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.538 HG23 ' CB ' ' A' ' 48' ' ' ASP . 89.0 mt -51.56 146.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 73.55 111.105 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -122.54 -35.64 3.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.2 p -143.43 157.45 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.132 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CD1' HD22 ' A' ' 22' ' ' LEU . 49.9 mt -145.3 148.31 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.143 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 47' ' ' TYR . 1.3 tt -132.74 135.11 45.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.925 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -133.36 156.62 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.44 111.032 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG21 ' N ' ' A' ' 35' ' ' GLY . 3.8 mp -140.59 108.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 71.34 111.141 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.36 168.71 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.877 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.27 -58.22 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 63.54 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -54.46 128.7 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 54.14 110.87 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.85 87.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.1 111.115 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -62.69 -38.99 92.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 74.23 111.155 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.67 -47.99 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 52.52 110.894 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -52.01 -37.14 52.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.97 16.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 73.12 111.076 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -54.07 -62.16 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.922 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 112' ' ' LEU . 27.0 mt -58.11 -35.83 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 62.31 110.895 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.57 ' HD2' HG13 ' A' ' 29' ' ' VAL . 13.0 t-80 -64.63 -36.15 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.868 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.5 -37.67 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 41.32 111.082 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.616 HG22 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -51.84 -61.39 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.153 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD21 HG11 ' A' ' 116' ' ' VAL . 13.6 mt -66.74 -36.58 82.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.97 -52.86 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 31.42 111.109 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.12 -34.45 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.917 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.86 -20.58 65.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 63.14 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.39 -33.54 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 62.41 112.452 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -54.28 153.86 4.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 74.15 110.882 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -96.64 78.21 2.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 74.41 110.926 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 19' ' ' HIS . 5.6 p -84.36 136.31 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 73.51 111.133 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.7 m -133.22 144.43 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 54.23 111.14 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 m -111.23 139.51 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.14 111.173 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.88 -175.97 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 63.34 111.105 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.49 -44.32 44.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.085 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' C ' HG21 ' A' ' 8' ' ' ILE . 6.2 m-20 -149.81 177.49 9.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 64.55 110.899 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -58.24 -33.04 68.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 24.54 112.513 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -74.2 -48.16 30.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 74.14 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.75 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.09 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.68 -51.41 6.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 55.34 112.521 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CE2' HD13 ' A' ' 62' ' ' LEU . 2.8 m-85 -62.27 -41.44 98.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 65.02 110.861 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.21 -44.36 83.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.8 -35.06 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 60.31 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.58 -25.24 37.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 53.04 111.058 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.93 -29.55 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 54.13 111.122 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.56 -27.78 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 52.45 111.126 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -101.43 -35.19 9.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 72.05 111.133 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.13 84.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.35 111.097 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.611 ' CE1' HD12 ' A' ' 6' ' ' LEU . 59.3 m-85 -86.12 169.78 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 74.0 110.927 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 77' ' ' THR . 0.2 OUTLIER -81.04 -35.35 31.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.879 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.893 HD12 HG23 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -139.3 137.28 35.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 62.3 110.947 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 51' ' ' LEU . 76.5 t -124.39 139.63 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.42 111.137 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.0 mm? -124.51 109.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.946 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.717 HG23 HG23 ' A' ' 81' ' ' VAL . 6.9 t -120.57 162.55 19.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.125 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -131.43 158.65 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.32 150.09 21.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.935 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -166.93 114.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 55.42 110.872 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.31 160.7 0.12 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.498 0.666 . . . . 75.2 110.903 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.26 11.11 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 72.2 112.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -85.37 125.72 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 63.03 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.91 176.46 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 p -121.72 -49.07 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 62.11 110.855 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.43 32.87 2.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 74.45 112.42 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 39' ' ' PHE . 4.0 mm? -86.86 -35.07 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.775 0.322 . . . . 74.14 110.927 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -51.71 -30.19 21.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 62.25 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -49.47 -33.91 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.88 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.5 mt -49.96 -40.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 71.32 111.16 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.6 81.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 54.03 111.099 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.69 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.082 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.451 HD23 ' CD2' ' A' ' 74' ' ' TYR . 10.3 mp -79.81 -34.99 39.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 44.4 110.912 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.4 ttt180 -65.72 -48.37 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.882 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -55.79 -34.52 65.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.03 156.98 38.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -95.45 35.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.41 -32.32 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 70.02 111.128 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CD2' HD23 ' A' ' 68' ' ' LEU . 10.8 m-85 -111.14 -24.73 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 73.25 110.929 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -48.28 -38.34 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 54.21 111.078 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.92 -35.26 57.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.911 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 48' ' ' ASP . 78.3 m -53.86 125.61 47.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.588 0.709 . . . . 73.13 111.128 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.509 ' CG ' HD13 ' A' ' 119' ' ' LEU . 53.7 Cg_endo -69.75 91.0 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.698 2.265 . . . . 72.53 112.373 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' HD23 ' A' ' 80' ' ' LEU . 47.8 mm -81.35 136.2 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 73.34 111.137 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 79' ' ' ILE . 25.0 mt -128.68 115.06 17.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.931 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.717 HG23 HG23 ' A' ' 52' ' ' THR . 11.2 p -107.55 147.72 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 72.14 111.085 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 105' ' ' LYS . 5.2 mp -96.59 151.12 19.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.943 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.602 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 13.9 t -134.97 165.37 25.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.44 111.164 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.526 HG22 ' NZ ' ' A' ' 105' ' ' LYS . 70.5 p -96.66 -51.11 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 73.14 111.135 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -104.83 136.67 43.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.65 55.12 4.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 62.43 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -99.72 146.02 27.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 55.31 110.893 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.43 -36.44 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.85 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.08 -35.92 60.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 64.43 111.111 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.75 -37.48 82.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.903 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -51.95 -35.73 47.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 62.23 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.23 74.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 52.42 111.103 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.2 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.066 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.82 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 61.04 111.037 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -75.43 -35.85 60.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.79 -37.41 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 61.44 110.897 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.7 81.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.53 111.083 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.18 33.48 0.96 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 64.32 112.477 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.43 163.18 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 42.34 111.146 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.5 m -90.11 -59.34 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 65.52 111.113 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -135.93 169.96 23.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 53.23 112.474 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.602 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.52 164.3 30.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 75.13 110.949 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.08 169.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 64.23 111.137 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.46 115.33 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.526 ' NZ ' HG22 ' A' ' 84' ' ' THR . 3.9 pttm -77.52 157.57 79.9 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 52.23 110.922 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 175.69 35.55 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.68 -1.8 . . . . 71.45 112.328 -0.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.425 ' CG1' HD21 ' A' ' 82' ' ' LEU . 28.9 mm -114.28 148.14 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 71.3 111.141 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.93 159.2 34.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 65.42 110.859 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.577 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.77 -33.03 17.38 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 74.12 112.39 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -77.95 -33.37 41.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.769 . . . . 73.14 112.517 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.408 HG12 HD12 ' A' ' 115' ' ' LEU . 92.1 t -79.77 -31.25 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.04 111.109 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.697 ' CD1' HD22 ' A' ' 18' ' ' LEU . 7.1 tt -72.0 -33.62 68.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 70.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.616 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.5 t -79.88 -43.2 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 61.43 111.161 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -32.18 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.846 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.408 HD12 HG12 ' A' ' 111' ' ' VAL . 15.9 mt -69.04 -39.27 79.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.933 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.893 HG23 HD12 ' A' ' 49' ' ' LEU . 9.8 p -82.14 -33.63 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.162 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.05 -55.21 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.096 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.5 t -51.7 -35.5 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.105 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 78' ' ' PRO . 28.5 mt -73.19 -39.41 65.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 50.55 110.967 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -36.05 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 61.45 110.832 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -82.81 160.27 61.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 62.14 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.249 . . . . 50.42 112.337 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.04 143.38 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 71.34 111.146 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -167.88 44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 53.31 111.108 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.15 110.884 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.707 0.289 . . . . 73.22 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.4 mm -54.35 106.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 45.42 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -93.97 -50.39 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.856 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.26 166.34 24.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 72.04 111.113 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 49' ' ' LEU . 42.3 mt -145.44 149.19 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.04 111.138 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 30' ' ' THR . 29.3 tp -132.03 130.94 42.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.48 119.09 23.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.21 111.069 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.744 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.6 mp -109.69 108.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 63.2 111.152 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.97 171.97 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 62.12 110.837 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -104.41 -40.12 6.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -71.93 118.61 15.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.885 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.21 -35.95 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.13 111.104 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -64.21 -44.56 91.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 71.05 111.159 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -65.89 -50.11 65.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.909 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -51.88 -35.93 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.882 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.24 -37.29 23.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 65.53 111.122 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.97 -61.03 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.643 HD22 HD13 ' A' ' 112' ' ' LEU . 17.2 mt -59.97 -35.59 75.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.939 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.541 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.6 t-80 -66.7 -39.07 87.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.88 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.38 -49.43 22.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.061 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.527 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.2 m -51.46 -39.01 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 71.34 111.142 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.628 ' HB2' HG11 ' A' ' 29' ' ' VAL . 45.3 mt -83.68 -36.89 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.92 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.6 69.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 50.31 111.089 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -57.8 -33.75 68.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 63.13 110.946 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -20.82 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.076 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.63 -31.88 6.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 72.31 112.506 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -51.51 154.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 72.23 110.949 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.58 76.22 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 63.2 110.905 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.628 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.7 p -88.12 143.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 62.44 111.135 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 6' ' ' LEU . 27.5 m -141.94 149.12 39.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 63.31 111.128 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.99 138.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 42.53 111.098 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.26 -178.27 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.148 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.88 -35.79 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 72.51 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -152.19 160.13 43.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 62.4 110.884 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.744 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.14 -32.63 36.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 74.1 112.511 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.42 -52.29 23.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 41.23 110.906 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.34 -34.96 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 52.15 111.089 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.59 -49.35 44.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 51.01 112.533 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE2' HG21 ' A' ' 52' ' ' THR . 0.8 OUTLIER -66.96 -48.91 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 61.2 110.892 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -51.77 -40.91 61.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.9 -33.35 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.904 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -26.25 27.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 54.34 111.103 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.88 26.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.123 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.53 -27.62 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 75.54 111.158 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.1 m -102.85 -36.31 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.25 111.114 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.1 78.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.034 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.499 ' CZ ' HG21 ' A' ' 45' ' ' THR . 89.1 m-85 -82.6 166.85 18.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.428 . . . . 63.01 110.886 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -81.14 -34.87 32.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 74.13 110.894 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -143.49 123.41 13.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 62.2 110.921 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.53 145.29 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 65.25 111.111 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mp -123.97 110.73 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 62.52 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.455 HG21 ' CE2' ' A' ' 39' ' ' PHE . 6.5 t -115.87 162.73 16.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 64.25 111.148 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -90.45 -169.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 70.43 110.906 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -138.07 177.84 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 75.15 110.912 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 51.81 59.53 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 75.2 110.908 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mmt -113.63 157.82 40.48 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 72.31 110.881 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 169.85 17.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 64.05 112.339 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -57.08 -36.24 70.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 80.7 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 71.03 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -156.86 173.16 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.86 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.64 7.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.725 . . . . 43.54 112.463 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 mt -85.62 -35.04 21.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.747 0.308 . . . . 75.2 110.9 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -51.67 -32.56 30.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.85 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.02 -33.1 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 54.53 110.907 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.38 -40.25 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.21 111.138 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.81 -39.83 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 55.43 111.105 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.615 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -75.25 -35.23 61.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 71.13 111.046 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.98 -33.33 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -67.62 -46.54 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.96 -35.69 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.951 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 67' ' ' ALA . 3.3 mt -70.01 146.03 51.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 63.23 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.9 t -95.57 34.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.22 -33.02 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.02 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.53 -26.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.91 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.26 -38.3 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 64.15 111.107 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.72 -35.56 57.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 48' ' ' ASP . 99.2 m -52.29 126.38 36.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.541 0.686 . . . . 73.13 111.14 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.631 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.7 Cg_endo -69.77 89.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 63.04 112.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -83.08 114.68 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.13 111.149 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.73 123.41 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 64.21 110.875 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.38 141.39 20.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 64.24 111.122 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 83' ' ' THR . 0.3 OUTLIER -83.44 151.33 25.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 63.54 110.907 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 103' ' ' ILE . 11.4 t -149.45 162.36 40.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 51.41 111.11 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.5 p -122.61 -34.79 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 63.02 111.11 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.99 -65.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.1 41.95 4.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 74.43 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 51.3 110.861 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.36 -35.47 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 71.44 110.911 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.33 -38.04 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.118 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -38.04 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.851 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -51.78 -35.62 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 74.22 110.891 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.99 82.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 61.41 111.106 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.11 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.44 111.062 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.67 -50.09 61.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 61.3 111.039 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -68.68 -35.36 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.878 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -57.06 -43.33 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.884 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.124 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 127.89 36.16 0.49 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 74.12 112.475 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.29 163.03 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 64.41 111.092 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -86.67 -63.57 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.105 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.02 13.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 53.05 112.5 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.641 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.75 168.96 18.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 74.12 110.907 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.727 ' O ' HG22 ' A' ' 83' ' ' THR . 0.5 OUTLIER -151.03 159.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.121 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -112.99 117.77 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 74.44 110.875 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 5.8 mptt -75.22 159.3 82.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 75.23 110.935 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.9 Cg_endo -69.75 166.2 74.64 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.664 -1.807 . . . . 75.45 112.393 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.404 HD11 ' HB ' ' A' ' 103' ' ' ILE . 36.3 mm -108.8 138.72 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.411 . . . . 61.32 111.13 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.0 156.1 42.59 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.625 0.726 . . . . 74.5 110.843 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.503 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.79 -33.74 15.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 72.22 112.323 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.26 -33.31 64.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 61.12 112.503 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.89 -42.26 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 72.44 111.109 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.643 HD13 HD22 ' A' ' 18' ' ' LEU . 7.3 tp -61.65 -37.27 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 75.15 110.908 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.527 ' CG2' HG22 ' A' ' 21' ' ' THR . 87.1 t -80.03 -28.17 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 75.31 111.108 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.33 -43.79 63.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 61.45 110.914 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.659 HD11 HD11 ' A' ' 49' ' ' LEU . 1.3 pp -62.3 -34.52 76.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 73.05 110.944 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.2 p -84.6 -34.13 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.153 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.3 -53.96 30.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.08 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -51.69 -34.87 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 51.55 111.165 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 78' ' ' PRO . 13.5 mt -74.48 -46.95 36.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.95 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -61.0 -37.03 81.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 65.23 110.879 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -84.83 153.7 60.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 73.23 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -170.76 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.656 2.237 . . . . 64.12 112.357 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -51.64 143.52 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.133 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -172.46 43.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 71.14 111.151 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 70.1 110.897 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.715 0.293 . . . . 72.21 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.408 HD13 ' OD1' ' A' ' 48' ' ' ASP . 47.3 mm -62.44 105.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.52 111.113 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -94.55 -45.57 7.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.881 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -141.04 161.56 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.139 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' CD1' HD22 ' A' ' 22' ' ' LEU . 60.5 mt -142.17 144.63 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.111 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.766 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -123.39 131.21 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.946 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.611 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -130.91 152.4 50.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 63.24 111.089 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 6' ' ' LEU . 4.8 mp -140.72 121.02 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 55.1 111.112 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.61 171.66 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 75.2 110.848 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -110.2 -37.71 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.883 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -72.72 119.93 17.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.814 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -38.16 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.21 111.112 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.9 m -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 73.42 111.133 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.7 mmt -70.69 -46.44 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -58.71 -36.85 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.898 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.04 -46.26 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 64.23 111.079 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.2 tm? -56.33 -62.2 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 64.04 110.953 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -53.52 -46.84 70.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 64.14 110.896 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.543 ' HD2' HG13 ' A' ' 29' ' ' VAL . 18.3 t-80 -57.55 -39.07 75.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 71.51 110.857 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.47 -38.34 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 45.12 111.088 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.551 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.0 OUTLIER -53.77 -51.61 62.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.24 111.126 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 5' ' ' ILE . 20.2 mt -76.23 -36.94 58.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.53 -54.66 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 54.43 111.041 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -55.64 -34.71 65.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 72.12 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.59 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 70.5 111.096 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.57 -35.78 4.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 55.21 112.53 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.98 154.82 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 73.12 110.914 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -98.32 86.56 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.4 p -97.24 143.63 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.145 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.2 m -134.31 141.1 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.83 139.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.098 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' A' ' 8' ' ' ILE . . . -97.41 179.88 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 64.42 111.097 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.0 -35.99 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 71.54 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -148.72 159.04 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 70.34 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.648 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -52.04 -32.75 35.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 74.15 112.487 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -74.26 -46.12 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.22 110.939 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.25 74.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.22 111.13 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.38 -51.27 13.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 62.13 112.447 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.518 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 3.6 m-85 -64.85 -49.76 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 74.14 110.861 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -52.13 -42.82 63.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.882 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -76.89 -34.66 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.885 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.75 -25.86 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.108 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.72 -28.87 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 62.11 111.117 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.88 -27.93 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 51.43 111.152 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.49 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 4.6 m -101.47 -36.3 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.22 111.144 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.11 72.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 62.2 111.132 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.766 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 88.1 m-85 -74.42 172.79 11.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.935 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 77' ' ' THR . 0.7 OUTLIER -83.15 -35.16 25.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 71.52 110.842 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.921 HD21 HD23 ' A' ' 80' ' ' LEU . 1.6 tt -141.56 130.62 23.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.949 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.625 ' O ' HD22 ' A' ' 51' ' ' LEU . 23.5 t -111.45 148.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 63.41 111.15 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -139.62 119.6 13.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 64.31 110.937 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.909 HG23 HG23 ' A' ' 81' ' ' VAL . 3.0 t -126.09 151.18 47.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.32 111.13 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -126.89 -40.37 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.858 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -64.09 132.21 49.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 54.12 110.902 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -130.34 41.41 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.51 110.923 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.0 ttm -85.92 137.4 35.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 74.31 110.873 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 113.49 3.4 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 43.11 112.339 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -137.17 168.13 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.873 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -36.04 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.913 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 t -134.38 154.52 51.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.845 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.32 -86.57 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.33 112.484 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 mp -74.91 -35.38 62.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 72.24 110.927 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.708 ' OE2' HD22 ' A' ' 64' ' ' LEU . 1.9 pp20? -51.2 -31.36 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 64.4 110.836 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.708 HD22 ' OE2' ' A' ' 63' ' ' GLU . 2.7 mm? -50.46 -33.09 19.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 39' ' ' PHE . 47.0 mt -50.57 -35.09 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.43 111.113 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.0 -54.19 26.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.071 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -60.43 -33.68 72.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 63.21 111.138 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.84 -34.23 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.97 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -66.66 -43.38 84.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.89 -35.09 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 61.21 110.911 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 67' ' ' ALA . 3.1 mt -68.92 147.06 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.0 m -95.75 34.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 75.25 110.825 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.3 -32.75 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 50.21 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -113.77 -25.29 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.1 110.908 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.42 -38.52 19.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.33 111.129 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.99 -35.34 59.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 63.42 110.881 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP . 91.5 m -56.93 126.11 71.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.608 0.718 . . . . 72.42 111.184 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.723 ' HG3' HD13 ' A' ' 119' ' ' LEU . 54.2 Cg_endo -69.76 109.95 2.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 73.45 112.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.63 ' O ' HD13 ' A' ' 80' ' ' LEU . 48.7 mm -97.48 127.83 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.163 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.921 HD23 HD21 ' A' ' 49' ' ' LEU . 1.2 mm? -122.96 113.97 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.943 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.909 HG23 HG23 ' A' ' 52' ' ' THR . 13.2 p -107.39 148.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 50.13 111.147 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 51' ' ' LEU . 5.7 mp -98.3 151.28 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 61.43 110.931 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.9 t -130.31 156.39 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.173 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.9 p -87.54 -36.36 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.12 111.172 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -126.91 144.3 51.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.29 55.25 5.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.514 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -91.94 144.91 24.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 73.53 110.911 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.87 -36.75 83.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 53.14 110.918 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.31 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.11 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.44 -41.2 89.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.841 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -51.88 -35.9 46.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.15 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.41 111.067 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.33 -61.23 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.09 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.62 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 63.45 111.108 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -67.91 -35.56 78.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.885 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.08 -44.13 97.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 41.45 110.883 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.43 84.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.066 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.7 42.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 53.13 112.516 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.84 143.95 31.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 72.03 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.1 m -73.58 -58.98 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.42 111.105 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.39 168.66 24.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 71.04 112.462 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -139.69 165.94 25.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.723 0.297 . . . . 74.51 110.958 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.682 ' O ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -144.0 169.78 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 70.05 111.114 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.76 107.14 17.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 60.42 110.855 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -67.5 159.48 77.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 72.05 110.877 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 171.84 51.65 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 -1.794 . . . . 65.31 112.366 -0.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.3 mm -116.03 144.37 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 65.4 111.152 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.98 157.94 38.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 64.44 110.889 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.1 Cg_endo -69.74 -32.79 17.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 60.45 112.351 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.97 60.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.472 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 64.2 t -81.43 -38.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 71.35 111.087 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 112' ' ' LEU . 3.1 tm? -63.29 -52.88 60.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 63.42 110.953 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.551 ' CG2' HG22 ' A' ' 21' ' ' THR . 97.6 t -60.48 -35.1 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.05 111.146 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.43 -35.89 73.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.841 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.28 -36.3 81.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.924 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.656 HG23 HD12 ' A' ' 49' ' ' LEU . 9.9 p -84.17 -34.68 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.108 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.23 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 43.33 111.077 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 t -51.54 -35.23 39.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.088 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.723 HD13 ' HG3' ' A' ' 78' ' ' PRO . 9.7 mt -79.29 -36.12 40.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 74.1 110.9 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t -64.99 -39.46 93.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -102.45 155.87 35.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.709 . . . . 74.21 110.906 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -171.32 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 61.43 112.353 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.66 145.67 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 52.32 111.1 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -162.55 45.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 52.33 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.6 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 45.12 110.858 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.776 0.322 . . . . 65.14 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.487 HG13 HG12 ' A' ' 116' ' ' VAL . 44.9 mm -51.94 116.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 64.51 111.134 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.6 OUTLIER -102.06 -43.67 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.922 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.512 HG23 ' HD2' ' A' ' 3' ' ' ARG . 70.2 p -143.67 167.62 21.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.1 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.673 HD13 HD13 ' A' ' 22' ' ' LEU . 79.6 mt -142.19 144.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.095 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.698 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -126.91 131.62 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.937 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.608 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -139.56 148.82 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.139 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.727 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.4 mp -140.12 131.25 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 52.32 111.087 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -161.01 169.4 22.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 70.51 110.865 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.97 -49.74 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.888 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -54.14 104.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.881 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.86 65.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.053 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.3 m -61.67 -35.91 79.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.132 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.409 ' HE2' HD11 ' A' ' 18' ' ' LEU . 12.5 tpt -65.15 -55.1 20.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.908 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -52.71 -36.32 57.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.871 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.44 -39.08 85.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.116 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.64 -55.53 17.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.925 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.651 HD22 ' CD1' ' A' ' 112' ' ' LEU . 15.3 mt -60.81 -35.47 76.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.945 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -68.87 -42.18 77.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.831 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.73 -46.78 57.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 52.53 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 113' ' ' VAL . 25.2 m -50.99 -40.92 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.24 111.132 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 5' ' ' ILE . 15.8 mt -84.85 -34.86 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.946 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.07 -51.02 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.24 111.105 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.08 -36.3 65.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -20.95 66.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 60.12 111.084 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.97 -31.24 6.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 51.23 112.495 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -50.64 152.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 63.32 110.941 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -103.0 92.8 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 22' ' ' LEU . 4.2 t -89.67 158.35 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 71.35 111.151 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.573 ' O ' HD22 ' A' ' 6' ' ' LEU . 92.6 m -146.68 109.8 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 62.44 111.172 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 m -95.48 138.59 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 74.02 111.114 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.47 -175.73 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.25 111.095 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -35.06 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.098 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -140.97 161.37 37.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.4 110.892 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.727 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -60.58 -32.85 79.6 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.484 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -69.3 -48.95 60.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 72.11 110.893 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -34.51 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.062 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.48 -43.89 23.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 43.13 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.5 -44.96 70.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 74.21 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -51.73 -35.46 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 54.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -84.55 -33.33 23.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.11 -26.18 26.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 53.22 111.071 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.512 ' HB2' HD21 ' A' ' 68' ' ' LEU . . . -84.93 -28.26 26.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 62.34 111.077 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.19 -27.88 25.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.145 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -101.86 -35.49 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 62.22 111.172 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.97 71.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.698 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 54.7 m-85 -68.87 176.06 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.937 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.433 ' OD1' HD13 ' A' ' 2' ' ' ILE . 0.8 OUTLIER -87.89 -34.32 18.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.04 110.868 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.832 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -142.89 123.96 14.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.922 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.625 ' HB ' HD12 ' A' ' 79' ' ' ILE . 41.3 t -113.31 147.64 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.101 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.54 ' CD2' HD11 ' A' ' 82' ' ' LEU . 3.1 tp -132.07 144.93 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 61.24 110.909 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.936 HG23 HG23 ' A' ' 81' ' ' VAL . 1.9 t -143.19 135.45 27.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 53.43 111.197 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' HB3' HD13 ' A' ' 82' ' ' LEU . 16.7 p-10 -108.48 52.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.32 110.856 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -106.34 133.07 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.94 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -71.3 -42.49 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.31 110.854 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.4 ttm -135.31 68.67 68.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 70.42 110.858 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.66 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 54.31 112.346 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -123.02 -36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 62.42 110.876 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -147.57 -170.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.895 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 63.61 52.81 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.43 -36.01 3.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 63.24 112.49 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.17 -33.22 74.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 74.23 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -51.63 -29.21 16.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.867 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -48.59 -34.65 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.613 ' HA ' HD12 ' A' ' 68' ' ' LEU . 81.1 mt -50.72 -42.83 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 62.41 111.157 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.95 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.23 111.113 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.14 73.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.22 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 65' ' ' ILE . 3.1 mt -78.46 -34.25 47.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 51.12 110.95 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -63.21 -50.63 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.25 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -56.0 -35.41 66.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.67 153.43 42.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 65.13 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.9 t -95.53 34.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 53.31 110.837 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.82 -31.91 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 44.52 111.069 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -112.38 -24.38 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.916 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.55 -36.4 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.6 -34.64 25.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.854 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.406 HG23 ' HD2' ' A' ' 78' ' ' PRO . 49.9 m -55.37 133.03 70.17 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.558 0.694 . . . . 70.32 111.111 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.742 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.8 Cg_endo -69.76 130.46 19.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 72.13 112.345 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' A' ' 50' ' ' VAL . 48.2 mm -129.87 125.79 61.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.17 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.832 HD23 HD21 ' A' ' 49' ' ' LEU . 2.9 mm? -117.82 120.58 38.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 65.5 110.93 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.936 HG23 HG23 ' A' ' 52' ' ' THR . 13.6 p -104.41 132.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.119 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 52' ' ' THR . 1.6 mp -84.36 151.98 24.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 71.34 110.938 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.748 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 9.9 t -146.09 156.56 43.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.126 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.5 p -109.47 -35.56 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.53 111.161 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.99 -74.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.54 110.9 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.63 40.68 3.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 72.14 112.506 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.57 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 72.42 110.852 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.1 -45.4 60.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.886 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.82 -38.04 54.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 71.12 111.108 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.65 -44.93 93.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 74.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -53.63 -35.92 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 71.11 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.05 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 63.52 111.081 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.34 -59.99 3.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 62.51 111.095 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.99 64.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.095 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -65.04 -35.24 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.846 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -70.17 -35.82 74.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.881 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.91 -37.35 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 64.4 111.125 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.24 33.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 55.24 112.507 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.77 134.49 42.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 63.22 111.114 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.5 m -53.93 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 74.24 111.169 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -131.97 -179.93 16.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 65.33 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.748 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -138.07 169.69 17.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 72.34 110.931 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.706 ' O ' HG22 ' A' ' 83' ' ' THR . 0.7 OUTLIER -149.8 162.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.14 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.38 136.18 49.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.648 ' CE ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -82.98 160.98 59.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 73.23 110.9 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.74 176.38 32.77 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 -1.809 . . . . 75.11 112.367 -0.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mm -112.89 138.02 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 55.33 111.156 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.82 154.6 39.81 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.642 0.734 . . . . 73.13 110.845 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.35 22.41 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 74.43 112.332 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -37.26 47.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 62.03 112.486 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.04 -46.64 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 74.13 111.108 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.651 ' CD1' HD22 ' A' ' 18' ' ' LEU . 6.9 tt -54.1 -55.65 25.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.949 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 21' ' ' THR . 85.8 t -61.09 -48.9 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 72.15 111.126 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -54.86 -39.92 69.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.26 -35.05 73.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.22 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.748 HG22 ' CD1' ' A' ' 49' ' ' LEU . 19.9 t -84.4 -35.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 111.123 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.4 -54.35 27.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.52 111.092 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.28 -34.58 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 71.11 111.135 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.742 HD13 ' HG3' ' A' ' 78' ' ' PRO . 12.8 mt -77.6 -35.91 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 p -63.95 -36.71 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 24.43 110.881 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.91 155.87 36.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 74.04 110.92 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -173.71 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.23 . . . . 63.32 112.389 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.22 160.9 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 74.31 111.133 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -169.95 -63.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 62.11 111.098 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.6 t30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.921 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.5 ttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 64.41 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.07 113.74 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 72.15 111.123 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -89.7 -44.56 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.864 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.8 p -152.07 172.98 15.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 70.21 111.134 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.611 ' CD1' HD22 ' A' ' 22' ' ' LEU . 55.6 mt -142.75 148.73 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.129 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD23 HG13 ' A' ' 50' ' ' VAL . 11.0 tp -129.4 119.1 23.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 71.32 110.875 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -127.39 115.32 18.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.22 111.075 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.643 HG21 ' C ' ' A' ' 34' ' ' ASP . 3.6 mp -108.96 134.48 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.22 111.121 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -157.03 154.5 29.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 62.25 110.839 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.96 -42.39 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.832 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.67 112.69 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.874 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.82 -35.57 44.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 35.34 111.107 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.4 m -64.91 -43.69 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 53.53 111.085 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.3 ttp -69.36 -49.66 53.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 62.4 110.89 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -51.87 -38.24 55.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.903 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.08 -44.2 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.066 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -52.41 -62.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 65.51 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.836 HD22 HD22 ' A' ' 112' ' ' LEU . 22.1 mt -58.84 -46.7 87.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.904 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -52.0 -43.85 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.843 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.22 72.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.098 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.522 HG22 ' CG2' ' A' ' 113' ' ' VAL . 3.2 m -51.13 -52.97 38.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.172 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.722 HD21 HG11 ' A' ' 116' ' ' VAL . 3.1 mt -78.4 -40.65 35.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.892 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.39 -49.41 61.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 41.42 111.128 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -64.52 -32.49 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 62.24 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.84 -20.85 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.53 111.102 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.4 -41.04 1.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 41.32 112.486 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD1' HD23 ' A' ' 22' ' ' LEU . 46.8 m-85 -51.87 154.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 73.34 110.899 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -104.6 104.43 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 40.33 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 22' ' ' LEU . 2.8 t -98.74 161.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 62.2 111.145 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -150.85 115.46 5.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 74.11 111.16 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 7' ' ' ALA . 17.3 m -95.35 138.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.42 111.158 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.12 -175.79 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 62.11 111.107 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.28 -35.09 59.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.096 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.643 ' C ' HG21 ' A' ' 8' ' ' ILE . 10.4 t70 -154.68 168.08 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 65.34 110.876 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.538 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -59.65 -32.3 73.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 53.23 112.497 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.89 -47.75 67.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 72.24 110.918 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.72 -49.75 28.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 45.42 112.439 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.488 ' HB3' HD21 ' A' ' 64' ' ' LEU . 1.3 m-85 -63.88 -48.69 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 53.32 110.853 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -51.08 -35.79 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.35 -31.02 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 62.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.89 -25.17 27.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 61.3 111.104 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.65 -26.1 30.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.129 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -28.04 19.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.125 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.436 HG21 ' CZ ' ' A' ' 47' ' ' TYR . 6.9 m -100.98 -36.93 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.179 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.12 80.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.1 111.088 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' CZ ' HG21 ' A' ' 45' ' ' THR . 70.4 m-85 -82.56 -177.87 6.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.923 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.41 -31.86 11.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.43 110.879 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.831 HD21 HD23 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -143.78 124.47 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.15 110.906 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG13 HD23 ' A' ' 6' ' ' LEU . 21.6 t -119.65 140.83 42.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 55.23 111.145 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 8' ' ' ILE . 9.4 mt -131.73 130.94 42.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 42.13 110.885 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.44 HG23 HG23 ' A' ' 81' ' ' VAL . 9.6 t -131.97 162.71 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 75.53 111.118 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -156.93 114.22 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.856 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -175.36 156.57 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 62.3 110.908 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -75.46 160.57 30.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.54 110.883 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.5 tpp -118.27 67.82 6.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 75.22 110.872 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.02 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 34.12 112.354 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.33 -176.3 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.02 110.9 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -52.39 113.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.889 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.5 p -127.9 -172.33 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.832 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.464 ' O ' HD23 ' A' ' 64' ' ' LEU . . . -65.73 -31.5 80.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 70.23 112.482 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 65' ' ' ILE . 3.2 mm? -50.24 -31.37 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.2 110.93 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -28.18 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.882 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 39' ' ' PHE . 4.0 pp -49.72 -31.05 10.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.893 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.503 HD11 ' CD1' ' A' ' 62' ' ' LEU . 45.4 mt -47.54 -35.05 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.5 111.094 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.31 -47.66 55.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.15 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 -34.21 72.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 54.44 111.118 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 74' ' ' TYR . 2.9 mm? -59.6 -30.93 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 60.13 110.934 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.1 tmt_? -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 51.43 110.868 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.54 25.08 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.13 110.918 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -18.05 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t 64.0 29.47 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.31 -34.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.071 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 68' ' ' LEU . 1.9 m-85 -111.75 -22.16 11.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 70.13 110.88 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 69' ' ' ARG . . . -48.01 -40.13 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 74.14 111.109 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -76.7 -33.91 58.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 61.03 110.907 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.419 HG23 ' HD2' ' A' ' 78' ' ' PRO . 40.5 m -51.07 133.6 30.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.553 0.692 . . . . 72.23 111.138 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.813 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.89 112.93 3.23 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.646 2.231 . . . . 75.43 112.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD13 ' A' ' 80' ' ' LEU . 39.6 mm -113.28 132.69 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.23 111.114 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.831 HD23 HD21 ' A' ' 49' ' ' LEU . 1.8 mm? -123.3 118.34 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 71.53 110.886 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 102' ' ' TRP . 14.7 p -104.51 133.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 52.42 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 105' ' ' LYS . 5.9 mt -84.31 149.73 25.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 103' ' ' ILE . 1.6 t -126.34 142.04 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.136 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -51.72 -60.83 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.1 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -117.47 -49.28 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.41 50.21 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 72.23 112.479 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.99 147.82 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 61.22 110.883 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.65 -36.57 84.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.854 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.8 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 64.14 111.137 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.91 -36.51 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 61.45 110.925 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -51.77 -36.9 49.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 73.43 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.89 -35.53 74.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 43.25 111.098 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.4 -60.07 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 111.093 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -47.69 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 53.55 111.141 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -65.97 -35.56 80.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.32 110.875 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.67 -41.97 87.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.881 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 65.53 111.119 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.99 33.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 62.35 112.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.55 143.9 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 70.02 111.074 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.9 m -57.19 -73.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 74.1 111.127 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.79 178.6 18.76 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 64.53 112.461 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.454 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -137.78 164.08 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 73.25 110.916 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.661 HD13 HD23 ' A' ' 82' ' ' LEU . 1.1 pp -149.55 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 62.41 111.107 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.78 142.52 34.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 54.22 110.881 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.772 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -101.1 161.43 23.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.525 0.678 . . . . 75.03 110.922 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.8 Cg_endo -69.72 175.42 36.5 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 -1.793 . . . . 75.4 112.339 -0.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.45 ' CG1' HD21 ' A' ' 82' ' ' LEU . 27.3 mm -115.99 140.53 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 53.54 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.55 154.99 73.99 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 72.45 110.845 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.79 -33.29 16.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 65.14 112.343 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.46 -42.94 32.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.682 -0.77 . . . . 64.44 112.495 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.52 -50.11 74.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 55.11 111.138 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.836 HD22 HD22 ' A' ' 18' ' ' LEU . 33.1 tp -51.73 -51.02 59.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.935 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 109' ' ' PRO . 94.9 t -60.84 -34.26 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.2 111.144 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.83 -37.43 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 63.2 110.881 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.905 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.722 HG11 HD21 ' A' ' 22' ' ' LEU . 8.9 p -84.43 -33.81 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.111 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -54.11 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 21.31 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -51.46 -34.64 36.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 54.32 111.137 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.813 HD13 ' HG3' ' A' ' 78' ' ' PRO . 11.0 mt -79.13 -35.93 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 63.11 110.924 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -61.04 -36.92 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.833 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -102.65 155.9 35.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 73.24 110.831 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.0 22.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 74.01 112.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -113.65 -172.02 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 73.55 111.135 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.9 40.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 61.43 111.13 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.895 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.742 0.306 . . . . 64.22 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.461 HG21 HD11 ' A' ' 5' ' ' ILE . 50.3 mm -64.2 105.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.02 111.161 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -42.47 11.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 62.01 110.826 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.3 p -149.18 155.32 40.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.1 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.53 ' CD1' HD22 ' A' ' 22' ' ' LEU . 58.8 mt -134.93 146.19 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.156 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.597 HD12 HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -124.61 129.96 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 54.43 110.923 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.549 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -128.15 125.93 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.086 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.597 HD11 HD12 ' A' ' 6' ' ' LEU . 2.8 mp -123.15 121.47 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 53.31 111.143 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -144.32 167.45 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.884 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -86.87 -53.09 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.869 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.1 t -64.93 126.08 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.855 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 52.33 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -57.77 -44.88 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 74.51 111.199 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.4 ' HG2' HD11 ' A' ' 18' ' ' LEU . 9.7 ttt -58.69 -55.62 32.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 73.53 110.87 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 mtm-85 -54.24 -36.14 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 74.45 110.854 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.72 -41.3 65.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 50.31 111.109 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.35 -59.64 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.911 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 112' ' ' LEU . 33.1 mt -51.6 -36.62 46.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.927 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.489 ' HD2' HG13 ' A' ' 29' ' ' VAL . 14.4 t-80 -63.37 -41.47 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.862 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.07 -42.64 56.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.147 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 113' ' ' VAL . 1.3 m -51.92 -42.99 63.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' HB2' HG11 ' A' ' 29' ' ' VAL . 14.3 mt -84.04 -35.93 23.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.92 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -52.7 64.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.115 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -55.7 -34.46 65.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 61.12 110.909 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -20.6 65.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.26 -34.04 5.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 55.31 112.486 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -51.85 155.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.351 . . . . 72.01 110.952 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -97.45 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.918 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 22' ' ' LEU . 5.9 p -88.04 144.0 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.125 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 45.0 m -140.92 145.27 35.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 65.34 111.125 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -101.35 140.56 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 64.33 111.131 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.8 -176.24 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 70.14 111.14 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.18 -35.79 17.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.22 111.107 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -152.7 166.14 33.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.887 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -53.44 -34.58 49.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 74.35 112.452 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -77.91 -36.85 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 31.05 110.896 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -60.8 -34.89 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.45 111.081 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.68 -47.7 7.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 62.25 112.441 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.89 -47.65 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.371 . . . . 63.24 110.907 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.95 -40.05 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.844 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.9 -34.28 71.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.937 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -19.98 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.51 111.085 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.74 -22.7 59.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 73.14 111.118 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.82 -29.38 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 64.43 111.13 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -99.15 -42.93 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.116 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 91.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 61.24 111.107 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -88.41 162.32 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.886 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.38 -34.86 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 64.53 110.845 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD1' HG22 ' A' ' 116' ' ' VAL . 0.4 OUTLIER -141.4 140.49 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.889 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' HB ' HD12 ' A' ' 79' ' ' ILE . 22.3 t -136.71 139.57 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.122 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 80' ' ' LEU . 13.1 tp -127.27 128.95 46.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.904 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.677 HG23 HG23 ' A' ' 81' ' ' VAL . 2.4 t -113.37 158.53 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 61.11 111.132 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.687 ' HA ' HD12 ' A' ' 82' ' ' LEU . 8.7 p-10 -127.38 -39.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.878 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -58.3 164.68 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 53.2 110.876 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -106.88 -172.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.6 mtm -132.17 73.62 77.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.698 . . . . 75.02 110.901 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -34.43 14.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.242 . . . . 74.32 112.369 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -157.39 -73.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.836 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -157.48 133.86 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.879 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -157.48 -44.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.31 110.872 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.32 -32.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 72.2 112.491 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 HD11 ' A' ' 65' ' ' ILE . 2.7 mm? -51.15 -32.88 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.331 . . . . 53.25 110.932 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.85 -28.69 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 64.01 110.887 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.0 tp -48.97 -33.08 10.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.888 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 68' ' ' LEU . 59.1 mt -49.71 -39.69 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 61.34 111.127 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.87 -42.33 75.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 65.55 111.115 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' HD23 ' A' ' 71' ' ' LEU . . . -61.09 -35.33 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.44 111.097 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 65' ' ' ILE . 5.7 mt -76.67 -27.09 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.944 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -59.03 -41.37 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.11 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -94.86 24.32 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.52 110.972 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -100.31 -21.92 15.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 60.25 110.872 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t 64.36 29.67 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 45.11 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -133.51 -35.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 74.43 111.115 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -111.47 -25.56 9.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.858 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.83 -36.12 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 74.55 111.091 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -80.7 -33.48 35.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 53.22 110.898 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.466 HG23 ' HD2' ' A' ' 78' ' ' PRO . 86.0 m -50.76 134.15 27.61 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.592 0.711 . . . . 54.05 111.149 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.76 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.2 Cg_endo -69.76 105.7 1.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.751 2.3 . . . . 72.45 112.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.587 ' O ' HD13 ' A' ' 80' ' ' LEU . 47.4 mm -110.11 135.61 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.112 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 79' ' ' ILE . 1.5 mm? -122.74 119.92 32.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 62.41 110.903 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.677 HG23 HG23 ' A' ' 52' ' ' THR . 7.2 p -104.48 142.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.102 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 105' ' ' LYS . 17.6 mt -84.08 149.94 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.588 HG21 ' CZ3' ' A' ' 102' ' ' TRP . 10.1 t -139.28 164.4 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 63.44 111.162 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.6 p -99.66 -35.41 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 70.34 111.095 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -128.53 142.97 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.853 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.25 55.11 4.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 45.32 112.501 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -94.78 147.28 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.369 . . . . 62.12 110.878 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -68.11 -36.67 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 71.0 110.83 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.9 -37.0 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 62.21 111.079 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.1 -42.27 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 75.51 110.869 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -52.04 -36.02 49.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 62.35 110.88 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.66 80.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 72.32 111.056 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.21 -60.38 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 72.4 111.073 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.486 ' HB2' HG11 ' A' ' 81' ' ' VAL . . . -53.66 -42.87 68.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 54.22 111.046 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -67.73 -36.08 79.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 53.11 110.83 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -70.55 -40.74 73.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.46 87.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 64.52 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.16 33.68 0.77 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 71.32 112.467 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.2 141.98 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 74.53 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m -64.7 -66.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.34 111.151 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.73 -179.64 16.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 50.2 112.477 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CZ3' HG21 ' A' ' 83' ' ' THR . 0.1 OUTLIER -137.35 163.48 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.769 0.319 . . . . 73.21 110.911 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.742 HD13 HD23 ' A' ' 82' ' ' LEU . 1.2 pp -150.34 170.52 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.096 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -100.93 138.6 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.778 ' HB3' HD22 ' A' ' 82' ' ' LEU . 5.4 ptmt -103.4 158.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.562 0.696 . . . . 72.3 110.924 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 54.0 Cg_endo -69.68 175.66 35.43 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 -1.793 . . . . 75.35 112.356 -0.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.521 HD11 HD13 ' A' ' 103' ' ' ILE . 27.7 mm -110.96 149.94 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.43 111.069 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.94 158.17 42.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 70.34 110.909 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.556 ' O ' HG23 ' A' ' 113' ' ' VAL . 53.9 Cg_endo -69.79 -36.77 10.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 52.13 112.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.34 55.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 75.23 112.513 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.6 t -79.06 -34.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 61.31 111.113 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 18' ' ' LEU . 10.3 tp -70.53 -40.89 73.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 64.35 110.935 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 21' ' ' THR . 91.0 t -72.51 -49.76 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 62.13 111.096 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.56 -32.89 69.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 118' ' ' THR . 10.7 mt -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.24 110.946 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 49' ' ' LEU . 37.5 t -84.21 -34.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 53.53 111.13 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.87 59.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.3 111.111 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 115' ' ' LEU . 12.4 t -51.43 -33.3 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 51.23 111.171 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' A' ' 78' ' ' PRO . 11.0 mt -84.73 -34.94 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -66.27 -48.86 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 53.35 110.848 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 62.27 160.68 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.668 0.747 . . . . 64.13 110.858 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 163.88 36.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 63.34 112.372 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 52.63 36.47 20.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.128 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -173.47 68.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.53 111.092 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 71.31 110.885 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 61.43 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 119' ' ' LEU . 49.6 mm -52.97 113.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 62.32 111.113 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.44 ' HD2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -99.63 -43.2 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.22 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.44 HG23 ' HD2' ' A' ' 3' ' ' ARG . 72.4 p -143.98 159.91 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 61.32 111.175 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.442 ' CD1' HD22 ' A' ' 22' ' ' LEU . 72.5 mt -136.43 145.11 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 62.32 111.134 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' N ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -128.22 132.81 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.957 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.597 ' N ' HD13 ' A' ' 6' ' ' LEU . . . -135.58 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 53.32 111.055 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.772 HG21 ' HA2' ' A' ' 35' ' ' GLY . 4.3 mp -141.17 131.09 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.31 111.119 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.49 171.22 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.05 110.881 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -106.3 -36.44 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -79.64 116.21 19.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.04 110.805 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.71 -35.17 41.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 74.43 111.051 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -57.63 -50.1 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.152 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -51.63 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.02 110.866 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.04 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 71.22 110.847 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.98 23.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 43.15 111.098 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 17' ' ' LEU . 1.9 tm? -61.46 -62.03 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 54.44 110.948 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD22 ' HG ' ' A' ' 112' ' ' LEU . 58.1 mt -56.99 -47.25 81.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.914 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -59.38 -38.84 81.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.867 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.49 -50.33 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.147 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 113' ' ' VAL . 2.6 m -50.65 -45.47 57.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 53.23 111.124 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 116' ' ' VAL . 14.1 mt -77.12 -37.16 54.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 63.34 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.98 -48.27 76.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 62.42 111.094 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -61.08 -32.65 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.896 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 -20.67 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 72.35 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.31 -32.41 6.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 71.31 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -51.98 154.23 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.05 110.945 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -102.0 100.67 10.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.902 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG21 ' HB2' ' A' ' 22' ' ' LEU . 3.3 t -97.95 159.86 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.583 ' O ' HD22 ' A' ' 6' ' ' LEU . 95.7 m -145.8 111.13 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 71.52 111.174 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.54 138.6 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 62.15 111.147 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.05 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.52 111.087 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.41 -35.06 17.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.096 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -144.05 162.86 35.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 70.31 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.772 ' HA2' HG21 ' A' ' 8' ' ' ILE . . . -60.6 -31.7 75.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 75.22 112.444 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -67.81 -42.48 81.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 71.34 110.89 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.23 -34.69 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 30.24 111.092 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.92 -50.41 13.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 60.31 112.516 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' HD1' HD23 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -64.43 -48.5 75.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 74.45 110.907 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.36 -35.4 38.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.09 -27.54 26.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.21 110.894 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.13 69.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 52.44 111.099 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.01 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 23.21 111.075 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -27.18 29.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 45.33 111.156 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -103.1 -34.46 8.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.86 91.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.099 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.583 ' CZ ' HD23 ' A' ' 6' ' ' LEU . 30.2 m-85 -92.83 -174.89 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.941 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.56 -34.16 12.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.0 110.855 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.989 HD21 HD23 ' A' ' 80' ' ' LEU . 1.1 tt -140.9 132.93 27.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.523 ' O ' HD13 ' A' ' 51' ' ' LEU . 21.9 t -120.16 135.53 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.179 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 50' ' ' VAL . 2.4 mm? -124.59 117.34 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.774 HG23 HG23 ' A' ' 81' ' ' VAL . 1.8 t -118.56 135.89 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.24 111.119 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.737 ' HB2' HD12 ' A' ' 82' ' ' LEU . 27.8 t0 -113.53 -67.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.81 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -52.28 160.34 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 61.44 110.921 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -169.72 139.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 54.31 110.889 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 mtt -163.0 160.57 18.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 74.52 110.866 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 91.78 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.258 . . . . 73.12 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.78 179.65 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -112.94 -38.58 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.9 t -111.65 73.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 64.02 110.847 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.78 -122.19 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 24.05 112.472 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 mt -56.02 -25.58 45.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 70.24 110.933 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -50.95 -27.13 6.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 62.23 110.833 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.604 HD23 ' HD1' ' A' ' 39' ' ' PHE . 10.9 tp -50.04 -29.12 8.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.9 mt -47.22 -34.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 70.34 111.149 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.64 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.1 111.115 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.626 ' O ' HD12 ' A' ' 71' ' ' LEU . . . -68.46 -44.49 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.4 111.089 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.469 HD22 ' CE1' ' A' ' 39' ' ' PHE . 9.2 mp -65.47 -32.22 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.91 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.19 -47.42 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.872 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -67.5 -34.67 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 70.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 67' ' ' ALA . 1.5 mt -64.88 150.73 47.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 31.44 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -95.3 34.53 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 63.13 110.858 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -124.65 -33.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 64.53 111.087 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -110.55 -22.72 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.1 110.969 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.62 -39.67 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 64.22 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.05 -34.74 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.01 110.914 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.6 m -58.19 132.36 84.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 74.22 111.174 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HG3' HD13 ' A' ' 119' ' ' LEU . 53.1 Cg_endo -69.79 123.51 10.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.692 2.261 . . . . 74.34 112.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.593 ' O ' HD13 ' A' ' 80' ' ' LEU . 48.0 mm -113.15 126.33 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.2 111.088 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.989 HD23 HD21 ' A' ' 49' ' ' LEU . 1.6 mm? -123.4 114.41 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 65.21 110.943 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.774 HG23 HG23 ' A' ' 52' ' ' THR . 14.4 p -104.5 147.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.101 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' A' ' 53' ' ' ASP . 9.5 mt -101.05 151.47 21.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 50.45 110.975 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 103' ' ' ILE . 9.8 t -131.39 162.35 30.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 55.22 111.117 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.9 p -106.7 -41.38 5.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.141 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.42 -67.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.854 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.6 33.97 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 72.53 112.501 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.46 176.45 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 43.01 110.849 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.11 -36.79 58.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.857 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.97 76.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 71.43 111.12 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.51 -41.36 98.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.4 110.908 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -51.95 -35.86 47.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 54.11 110.877 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.96 75.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.55 111.051 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.73 -61.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.35 111.134 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.92 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.23 111.09 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.2 ttm-85 -73.32 -35.81 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.14 -44.1 89.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.873 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.31 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 52.24 111.096 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.43 32.88 1.28 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 41.22 112.525 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.5 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 43.23 111.124 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.2 m -59.79 -70.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.35 111.158 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -133.95 172.16 21.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 74.33 112.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.497 ' HB2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -139.21 166.62 24.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 75.13 110.92 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -144.63 161.94 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.04 111.116 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -110.46 105.89 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -54.93 160.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 75.44 110.882 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 105' ' ' LYS . 53.6 Cg_endo -69.8 173.04 46.37 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 -1.798 . . . . 74.42 112.342 -0.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.4 mm -117.11 145.0 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.34 111.164 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.28 156.76 37.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.644 0.735 . . . . 63.2 110.867 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.461 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.7 -32.64 18.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 70.04 112.38 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.52 -37.66 62.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 61.11 112.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 98.7 t -75.42 -42.75 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 71.41 111.138 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.564 ' HG ' HD22 ' A' ' 18' ' ' LEU . 2.9 tm? -60.17 -54.39 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 43.11 110.893 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.529 ' CG2' HG22 ' A' ' 21' ' ' THR . 85.9 t -59.62 -46.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 71.43 111.119 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -54.88 -38.44 67.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 44.2 110.891 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.23 -34.25 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.25 110.918 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.739 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.4 t -83.13 -34.01 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.164 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.77 22.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 73.33 111.111 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -51.17 -33.7 28.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.143 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.524 ' HB2' HD11 ' A' ' 2' ' ' ILE . 11.5 mt -77.18 -46.88 21.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.912 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.1 t -60.21 -51.0 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 54.15 110.908 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -128.86 153.67 80.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 54.21 110.914 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -171.33 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 75.32 112.355 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.83 137.37 50.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 65.45 111.086 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -168.51 59.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 64.53 111.077 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 73.03 110.903 -179.938 . . . . . . . . 0 0 . 1 stop_ save_