data_6iws_residue ############################ # Computer software used # ############################ 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 6iws _Structure_validation_residue.Date_analyzed 2019-12-06 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 ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.812 0.339 . . . . 71.04 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -60.17 -29.83 68.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.944 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.66 -42.15 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 75.31 110.91 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -75.57 -40.74 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.911 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.98 -22.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.124 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -107.77 -16.5 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.937 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 25.5 61.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 72.41 112.451 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -111.36 152.59 43.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 55.23 111.131 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.7 7.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 75.43 112.364 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -78.82 -8.92 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -114.7 5.75 15.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.934 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.31 160.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 73.02 111.12 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -107.5 161.56 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 64.02 110.875 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -57.43 -27.05 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 62.13 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -78.09 -45.85 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.869 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.78 -29.84 71.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.5 mt -68.9 -32.75 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -70.97 -46.61 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.91 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.16 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 75.54 111.115 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -72.72 -34.84 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 73.44 110.913 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -75.35 -47.68 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -59.61 -34.09 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.899 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.9 -41.26 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.15 110.933 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.75 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.108 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.94 -24.48 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.871 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 73.33 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -58.71 -31.95 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.891 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 t -70.21 -33.76 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.842 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.15 -29.65 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.89 -47.44 77.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.99 71.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.117 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.14 -50.31 64.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 54.51 110.905 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.8 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 52.01 111.123 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -63.5 -27.15 69.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.934 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.78 -46.13 90.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.51 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 t -74.73 -41.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.101 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.78 -8.23 55.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 70.32 110.93 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t -73.6 -16.0 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.854 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -134.31 129.71 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.862 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.7 -41.01 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.865 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.89 -49.83 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.136 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -63.92 -42.89 97.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.899 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -64.44 -46.79 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.833 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.897 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.798 0.332 . . . . 74.51 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -59.97 -27.69 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.931 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -51.8 -43.14 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 74.13 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -74.88 -41.52 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.04 -22.51 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.13 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -108.4 -16.41 14.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 65.2 110.918 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.19 24.75 63.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 72.04 112.509 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -110.51 152.57 43.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 75.52 111.132 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 175.51 7.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.42 112.337 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -78.82 -8.81 59.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.846 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -114.33 5.52 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.15 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.23 159.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 63.53 111.064 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.7 m -107.49 163.24 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.863 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.62 -27.53 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.42 110.859 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -78.1 -40.63 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 74.35 110.897 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.7 mt -64.84 -32.77 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.145 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -62.72 -40.3 96.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.908 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -70.24 -47.68 60.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.897 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.05 72.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 65.1 111.103 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -72.65 -34.76 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.912 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -74.98 -47.82 27.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.939 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -59.68 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.78 -41.35 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.931 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.46 -39.88 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 54.21 111.088 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -61.52 -22.26 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.877 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 74.33 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -61.11 -32.05 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.848 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 t -65.86 -33.22 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.92 -28.62 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.953 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.73 -48.26 72.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.0 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 71.13 111.118 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.28 -50.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.908 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.75 -39.36 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.063 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -62.89 -27.24 69.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.923 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.04 -45.03 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 75.42 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.0 t -74.25 -43.23 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.41 111.18 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.24 -8.14 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.934 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -15.38 61.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.861 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -135.9 137.12 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 70.33 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -58.98 -42.85 90.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 t -57.77 -53.79 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.53 111.144 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -62.57 -46.84 86.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.94 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -57.55 -48.02 80.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.857 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.916 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.786 0.327 . . . . 72.4 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.96 -29.38 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.947 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -51.78 -44.88 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 71.54 110.92 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.11 -42.02 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 73.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.29 -22.47 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 73.43 111.109 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.86 -17.17 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 71.11 110.877 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.13 60.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 51.35 112.481 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -112.33 152.86 44.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 74.31 111.126 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.51 8.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 74.31 112.331 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -78.77 -8.78 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.884 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -113.11 3.94 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.4 159.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.4 111.148 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 169.65 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.894 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.96 -26.31 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.926 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -77.79 -42.56 33.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.94 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.6 -32.87 74.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.91 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 mt -67.16 -33.8 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 74.55 111.107 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -61.8 -40.44 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.45 110.884 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -72.03 -48.03 47.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.12 110.894 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.14 111.151 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -72.72 -34.73 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.961 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -75.23 -47.74 26.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -59.58 -34.37 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.87 -41.72 64.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.52 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.71 -39.23 76.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 72.2 111.094 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -61.97 -22.37 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.04 110.928 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.878 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 73.2 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -61.42 -33.11 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -64.32 -33.21 75.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.881 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.78 -51.73 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.94 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.59 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.114 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 71.44 110.854 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.9 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.128 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -57.7 -28.74 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.901 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.55 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.45 -44.24 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.15 111.177 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.17 -8.18 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.896 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t -73.58 -13.68 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.85 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.0 131.43 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 73.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.916 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.84 -52.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 72.3 111.154 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -61.79 -46.58 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.912 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -46.78 87.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.907 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 75.05 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -53.32 -36.59 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.936 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -51.83 -48.01 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 75.14 110.936 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -73.13 -39.49 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 64.13 110.897 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.7 -23.3 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.04 111.161 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -108.07 -15.55 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.927 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 27.14 58.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 64.4 112.484 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.07 152.61 45.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.657 0.742 . . . . 74.34 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 71.51 112.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -78.76 -8.28 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.872 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -113.52 4.0 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.907 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.4 160.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 60.3 111.101 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -107.48 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.53 110.83 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.96 -26.59 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 72.52 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -78.09 -42.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.78 -30.64 70.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.6 mt -70.21 -35.91 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 111.1 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -39.03 82.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 63.13 110.903 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -73.9 -47.93 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.26 -31.28 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.03 111.105 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.86 -34.83 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.37 -47.48 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 63.15 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.84 -41.53 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.7 -39.81 78.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.22 111.115 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -61.02 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 62.3 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.858 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 72.21 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.69 -32.82 69.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.824 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -65.92 -35.74 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -60.87 -33.12 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -60.75 -48.64 80.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 74.1 110.901 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.64 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.32 111.129 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.5 -50.13 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.855 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.84 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.1 111.107 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -66.32 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.889 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -47.02 87.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 74.3 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.2 t -74.81 -42.65 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.127 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.32 -9.82 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.904 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t -73.56 -12.82 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.87 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -138.0 129.18 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.42 110.907 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -54.44 -38.75 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.83 -50.41 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -61.6 -42.85 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -67.15 -47.35 71.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.856 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.786 0.327 . . . . 74.54 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -61.3 -29.09 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.951 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -51.86 -44.95 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.905 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -73.96 -39.2 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 75.51 110.861 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.51 -23.36 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.12 111.157 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt -106.97 -15.53 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.904 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 24.53 63.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 70.11 112.509 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 152.69 44.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.13 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 175.44 8.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 74.4 112.395 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -78.85 -8.4 58.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.89 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -113.39 3.88 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.53 110.868 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.4 159.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.092 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.45 166.87 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 73.15 110.841 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -61.68 -26.28 67.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 74.55 110.954 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -78.07 -43.25 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.21 110.834 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.77 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 72.05 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.7 mt -66.21 -34.46 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.164 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.24 -40.44 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.91 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.07 -47.67 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.931 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.5 111.093 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -72.86 -34.82 66.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.912 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -75.4 -47.53 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 73.41 110.894 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.64 -34.15 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.958 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.13 -41.28 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.896 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.0 82.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 74.25 111.103 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.31 -29.64 67.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 mttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.884 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 75.41 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.54 -31.97 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.832 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -69.64 -32.79 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.74 -32.36 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.02 -50.21 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.2 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.095 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -64.95 -50.29 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.58 -40.35 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 71.11 111.137 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -61.88 -26.89 68.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.5 110.898 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.62 -43.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.34 111.135 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mp -70.29 -10.55 59.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.928 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 -12.06 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.847 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.85 128.53 26.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.864 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.55 -41.25 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 61.42 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.67 -51.11 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.134 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -61.74 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.916 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -64.81 -47.92 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.881 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 74.34 110.88 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.34 . . . . 71.43 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -51.86 -33.78 37.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.926 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -51.66 -42.59 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.44 110.887 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.54 -35.67 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 62.23 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.86 -28.75 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.134 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mt -99.84 -16.48 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 73.13 110.928 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.07 30.29 51.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 74.15 112.476 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.55 152.48 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.722 . . . . 74.34 111.106 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.65 7.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 75.34 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -78.93 -8.92 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.848 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -115.25 6.24 14.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.881 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.05 160.83 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.063 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -107.51 168.81 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.824 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -62.36 -26.41 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 75.43 110.899 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.46 -42.58 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.92 -28.52 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 75.11 110.851 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 mt -71.66 -35.26 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.42 111.142 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -59.47 -41.31 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.91 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.73 -48.07 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.01 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.104 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -72.52 -34.75 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.966 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -75.06 -47.91 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 74.21 110.894 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.936 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.63 -41.33 65.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.25 110.917 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.13 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 72.04 111.095 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.29 -23.46 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 mttp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.946 179.83 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 75.3 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -58.65 -34.07 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.892 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -64.82 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.879 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -60.79 -29.4 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 64.33 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.27 -50.46 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.916 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.105 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.43 -50.05 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.98 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 74.41 111.079 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -70.53 -27.07 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.917 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.1 -50.17 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.22 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.82 -42.66 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.127 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.08 -12.11 60.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.886 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 t -73.62 -11.43 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.851 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.32 129.52 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.12 -42.15 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.93 -50.3 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 64.43 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -63.23 -47.19 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.905 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.92 -41.59 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 75.53 110.889 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.911 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 74.41 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -54.91 -30.98 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.861 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -51.86 -43.64 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 72.4 110.952 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -75.45 -38.04 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.87 -22.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.45 111.105 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.95 -14.63 14.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 65.34 110.91 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 23.51 65.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 63.21 112.533 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.6 m -110.4 152.37 43.25 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 74.31 111.136 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 175.28 8.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 52.43 112.369 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.79 -8.56 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.893 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -113.89 4.7 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.898 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.46 159.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.089 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -107.57 163.68 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.817 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -59.66 -26.69 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -78.1 -40.72 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.64 -36.05 78.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 mt -61.27 -32.75 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.151 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.37 -40.43 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.934 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -68.1 -48.04 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.12 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -72.54 -34.66 67.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.929 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.76 -47.83 28.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -59.78 -34.73 73.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.8 -41.35 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.63 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.082 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -58.29 -22.2 51.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.5 110.928 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.904 179.864 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.865 0.364 . . . . 74.11 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -59.65 -32.0 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.7 t -58.63 -32.99 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.51 110.894 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -67.21 -27.6 67.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.58 -50.81 33.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.92 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.9 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 72.24 111.134 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.82 -50.2 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.46 -35.79 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 72.25 111.132 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -67.46 -27.0 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.873 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.13 -47.19 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.23 110.824 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.92 -41.39 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.125 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mp -73.0 -8.49 55.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.939 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 t -73.61 -15.91 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.05 110.846 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 73.32 110.865 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.29 -42.98 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.893 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -49.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 71.42 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -63.29 -45.77 89.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.895 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.04 -48.59 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.874 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.779 0.323 . . . . 65.35 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -51.81 -33.48 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.897 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -51.51 -46.3 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 72.42 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.49 -39.38 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.931 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.48 -32.46 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.125 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mt -95.58 -15.81 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.914 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 26.51 59.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 55.34 112.491 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -114.12 152.63 46.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.647 0.737 . . . . 50.43 111.12 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 175.31 8.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 74.4 112.37 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -78.93 -8.35 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 75.12 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -115.03 5.65 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 160.34 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.43 111.121 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -107.52 173.18 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.876 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -65.51 -26.37 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.77 -40.79 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -32.83 74.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -66.8 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 72.15 111.119 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.69 -40.98 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.889 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -73.1 -47.94 40.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.886 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.85 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.11 111.103 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.4 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 72.32 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -74.55 -48.01 29.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.971 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -59.9 -34.34 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 72.01 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.79 -41.56 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 74.52 110.902 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.55 -43.2 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.55 111.12 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -57.37 -23.51 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 75.35 110.894 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 73.5 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.19 -33.49 75.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.908 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 t -59.12 -35.2 73.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.904 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.75 -27.11 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.2 mt -65.66 -51.22 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.921 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.77 82.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 71.54 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -60.75 -49.97 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.03 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.04 111.146 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -70.77 -26.75 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.923 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.09 -50.07 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 74.3 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.86 -41.9 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.05 111.12 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.26 -11.2 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -73.64 -13.55 61.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.53 110.889 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.72 139.96 40.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 61.23 110.878 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.97 -37.16 85.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.6 -49.5 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.89 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -63.79 -41.52 97.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.868 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.903 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 75.44 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -66.87 -27.2 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.916 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -51.84 -46.25 64.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.507 . . . . 75.34 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -74.21 -38.14 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.04 110.907 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.96 -20.73 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.14 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mt -110.7 -14.48 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.893 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.46 65.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 73.1 112.493 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -110.85 152.56 43.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 75.12 111.107 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 174.88 8.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 74.43 112.348 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -78.05 -8.83 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.89 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -114.5 5.6 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 70.02 110.884 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.41 158.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.067 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.5 160.64 15.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.841 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -55.65 -26.3 43.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.87 -49.18 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -61.52 -36.65 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.84 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.0 mt -59.56 -32.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.15 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.01 110.866 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.44 -47.73 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 74.53 110.899 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 74.34 111.12 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -72.9 -34.8 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.935 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -75.55 -47.47 26.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.925 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -59.53 -34.38 72.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.2 -41.46 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.902 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.72 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.5 111.048 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -62.89 -23.18 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 70.52 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.897 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 74.15 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.887 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -65.75 -33.71 76.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.861 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -61.98 -34.25 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.35 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.99 -47.92 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.893 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.26 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.122 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.5 -50.18 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 63.31 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -34.21 69.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.31 111.112 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -72.54 -26.83 61.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.21 110.937 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.72 -50.02 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.885 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.4 t -74.85 -38.62 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.53 111.121 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.79 -7.66 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 71.22 110.934 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 t -73.62 -17.78 61.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.64 139.84 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.891 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -61.81 -41.86 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.884 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.57 -54.01 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -63.65 -47.08 82.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.876 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -57.3 -41.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 74.41 110.881 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.902 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.859 0.361 . . . . 70.43 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -56.37 -31.89 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.91 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -52.0 -44.01 63.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.918 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -75.25 -37.72 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.4 mt -61.38 -24.36 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.54 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -105.98 -14.42 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.913 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.42 65.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 74.44 112.488 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -110.65 152.55 43.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 75.44 111.149 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 175.23 8.32 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 74.24 112.4 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -78.55 -8.67 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 71.24 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.5 5.52 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.3 160.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 71.23 111.086 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 m -107.47 162.08 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.878 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -57.18 -26.3 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.943 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -47.62 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.45 110.894 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.65 -29.03 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.05 110.857 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.7 mt -70.72 -36.19 63.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.151 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -60.59 -40.2 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -72.49 -48.04 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.08 -31.19 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.079 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.86 -34.76 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.919 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -75.4 -47.5 27.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 73.24 110.918 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -59.59 -34.41 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.874 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.97 -41.49 64.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.91 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.54 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.115 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.16 -24.51 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.869 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 74.5 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.73 -36.39 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 64.23 110.85 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -62.5 -34.43 76.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.85 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -61.51 -32.9 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 74.13 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.92 -49.61 76.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.87 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.6 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.124 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.51 -50.01 71.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 64.45 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.2 -36.98 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 65.44 111.07 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -68.32 -26.58 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.905 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -49.92 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.86 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.1 t -74.62 -39.28 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 111.123 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.99 -7.8 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.92 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -73.37 -16.68 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -134.17 137.7 44.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 72.15 110.859 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.79 -42.93 94.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 62.54 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.2 t -57.8 -54.02 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 74.22 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -64.06 -46.88 82.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.874 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -57.32 -41.1 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.893 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 70.44 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.06 -26.99 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 74.22 110.892 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -51.91 -45.38 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 70.14 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -73.2 -41.17 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 65.33 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.9 mt -57.89 -22.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 73.54 111.145 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -108.73 -16.25 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.94 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.28 24.79 62.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 72.24 112.501 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.53 152.79 43.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 70.24 111.118 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 175.55 7.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 74.12 112.351 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -78.86 -8.66 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -112.72 3.53 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.39 159.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.098 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -107.47 170.33 8.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 60.24 110.87 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -64.57 -26.39 68.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.64 -40.33 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -68.8 -34.98 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.888 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.9 mt -65.33 -34.96 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.31 111.131 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -60.99 -40.49 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.917 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -72.03 -48.08 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 73.14 110.914 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -72.7 -34.8 67.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.958 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -75.49 -47.65 26.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 72.31 110.91 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -59.49 -33.99 72.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 75.42 110.931 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mp -73.28 -41.69 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.939 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.93 -32.58 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.03 111.095 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.07 -17.6 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.54 110.867 179.888 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 72.23 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -65.36 -37.22 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -62.16 -32.94 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.81 -26.91 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.888 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.12 -48.02 66.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.918 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.07 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.102 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -64.65 -50.31 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 70.33 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.81 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 74.22 111.111 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -60.24 -27.03 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 72.12 110.954 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 72.11 110.882 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.46 -44.24 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 74.14 111.146 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.7 -8.46 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 64.35 110.937 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 t -73.65 -13.74 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.841 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.79 129.72 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -53.51 -42.29 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.872 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.4 -53.07 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 73.33 111.098 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.22 -44.6 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -45.62 94.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.907 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.875 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.837 0.351 . . . . 64.22 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -58.06 -27.37 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.93 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -54.89 -47.7 73.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.34 -31.88 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 62.23 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.69 -23.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.148 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -111.0 -15.68 13.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 75.52 110.93 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.15 39.6 22.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 71.12 112.495 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.22 152.49 67.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 65.43 111.124 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 174.26 9.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 61.32 112.343 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -78.73 -7.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -115.27 5.91 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 70.43 110.88 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.3 159.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.52 111.088 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -107.5 157.31 18.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.854 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -54.71 -27.15 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 73.42 110.894 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -78.05 -40.92 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.39 -36.43 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.77 -32.83 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 73.23 111.165 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -63.14 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.945 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -69.85 -47.02 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.89 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.01 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.45 111.142 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.56 -34.77 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.955 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -74.92 -47.79 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 64.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.62 -41.46 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.939 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.55 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.12 111.095 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.12 -21.06 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.884 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 75.31 110.884 179.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.333 . . . . 72.31 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -59.14 -32.01 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.855 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -65.84 -34.27 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.858 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -62.15 -33.36 74.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 73.51 110.928 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.16 -45.74 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.5 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.128 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.45 -50.48 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.96 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.15 111.125 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.21 -26.9 69.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.926 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.59 -46.27 90.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 75.54 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.6 t -74.83 -41.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 73.3 111.151 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.5 mt -74.21 -7.69 53.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 t -74.37 -15.61 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.808 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 134.49 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 65.03 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.03 -39.01 80.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.88 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.67 -53.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 64.01 111.162 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -64.23 -45.7 87.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 70.55 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.875 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.854 0.359 . . . . 75.12 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -59.8 -28.07 67.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.893 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -51.93 -45.27 64.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 75.34 110.92 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -72.86 -41.77 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -57.75 -22.92 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.14 111.098 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.77 -15.94 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.901 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.71 65.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.458 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.9 152.75 43.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 74.34 111.151 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.46 8.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 71.42 112.321 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -78.87 -8.59 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -111.73 2.52 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.855 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 158.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.44 111.089 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -107.53 170.58 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.869 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.95 -26.34 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -76.43 -43.91 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.847 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mt -59.59 -34.5 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 73.15 111.109 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -61.66 -40.28 94.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.915 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -71.71 -48.07 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.15 110.89 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 63.02 111.119 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.22 110.94 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.52 -47.4 27.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 75.11 110.922 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.59 -33.61 71.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 73.54 110.833 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.92 -41.61 59.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.927 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.75 -32.58 67.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.1 111.103 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -73.38 -26.94 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.84 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.893 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.844 0.354 . . . . 75.3 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -64.96 -40.82 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.54 110.909 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -60.28 -33.32 72.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.73 -27.49 67.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.82 -48.31 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 62.51 110.93 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.78 70.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.52 111.132 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -67.36 -50.24 60.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 65.43 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.59 -37.87 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.08 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -64.81 -27.05 68.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.898 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 75.34 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 t -74.56 -43.73 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.178 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.98 -8.4 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.898 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.56 -14.35 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.886 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -138.37 132.56 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.877 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.57 -41.8 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.888 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.52 -53.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 60.43 111.144 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -62.35 -45.83 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 64.14 110.907 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -59.05 -45.76 89.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.843 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.947 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 70.04 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -58.17 -32.37 68.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 74.13 110.942 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -52.22 -46.37 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.04 110.927 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -73.21 -39.93 65.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 71.3 110.879 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.56 -24.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.24 111.172 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -105.58 -14.88 15.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.73 65.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 74.53 112.505 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -111.44 152.87 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 74.24 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 175.32 8.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.257 . . . . 70.04 112.333 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -78.8 -8.38 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.3 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -113.59 4.16 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.33 159.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 p -107.48 168.63 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.37 -26.33 68.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.898 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -40.51 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.62 -35.39 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 75.11 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.6 mt -63.3 -34.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 74.55 111.079 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -63.08 -39.35 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.882 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -68.92 -48.02 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.939 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.92 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.086 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -71.86 -34.52 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.45 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -73.65 -48.15 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 72.5 110.914 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.83 -33.87 73.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -73.04 -41.78 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 64.55 110.942 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.81 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.41 111.076 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 72.5 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.41 -32.34 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 70.45 110.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -59.75 -32.75 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.2 110.858 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.98 -29.0 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 73.02 110.86 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.01 -52.13 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 75.33 110.928 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.073 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.28 -49.93 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.865 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.41 -36.49 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.08 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -68.19 -27.01 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 75.52 110.924 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.41 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 62.42 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.6 t -74.72 -42.58 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 64.22 111.131 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.65 -11.0 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.92 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 t -73.57 -11.99 60.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 64.12 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -136.84 128.42 28.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 73.01 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -55.46 -43.17 75.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.893 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.16 -48.33 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 70.54 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -62.28 -47.41 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.849 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -59.74 -47.86 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.836 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 72.52 110.912 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.327 . . . . 71.12 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -57.22 -25.94 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.918 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -56.56 -47.82 78.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 73.32 110.94 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.56 -30.06 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 64.53 110.927 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.8 -23.01 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 72.23 111.135 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -111.31 -15.0 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.3 110.897 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 40.78 18.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 70.44 112.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 m -126.03 152.62 73.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 60.43 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 174.88 8.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.24 . . . . 73.33 112.305 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -78.83 -8.03 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.898 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -114.8 5.2 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.21 110.874 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.43 159.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.2 111.1 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p -107.51 158.0 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -52.98 -28.44 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -75.25 -49.87 17.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.5 110.885 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.52 -33.83 74.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.8 -32.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 72.33 111.168 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -63.67 -38.69 92.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.879 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.85 -46.89 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.9 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.55 111.136 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.72 -34.76 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.911 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.08 -47.74 27.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.7 -34.15 72.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 74.14 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.94 -40.89 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.42 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.21 111.114 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -56.84 -24.76 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.931 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.833 0.349 . . . . 75.1 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -59.15 -32.12 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.859 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -65.8 -33.38 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -62.39 -33.74 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 70.33 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.36 -47.88 84.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.908 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.74 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 53.34 111.107 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.39 -50.38 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.36 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.137 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.68 -26.86 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.938 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.46 -46.66 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 71.33 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 t -75.0 -40.73 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.24 111.149 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.0 mt -74.27 -7.89 54.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.91 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 t -73.74 -17.01 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 130.22 28.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 55.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.41 -38.71 71.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.42 -51.1 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.54 111.113 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -63.01 -45.05 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.92 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.912 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.895 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 61.34 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -57.05 -25.76 59.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.927 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -56.76 -48.17 78.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 73.32 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.82 -31.15 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 74.02 110.886 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.38 -22.94 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 73.44 111.119 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -111.49 -15.08 13.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.937 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.26 40.93 18.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 54.51 112.501 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.14 152.43 73.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 72.31 111.168 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 70.12 112.338 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -78.82 -8.01 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.872 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -115.21 6.18 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.22 161.34 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.54 111.089 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -107.62 155.29 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 61.34 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -53.02 -28.65 25.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -77.96 -40.85 38.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -69.6 -30.14 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.25 -32.67 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.33 111.099 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -62.86 -39.95 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.885 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -70.09 -45.09 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.927 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.0 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 62.01 111.105 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -72.82 -34.68 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.943 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -75.24 -47.61 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 70.34 110.926 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -59.62 -34.58 72.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.86 -41.37 64.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.42 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.08 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.93 -20.24 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.916 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.871 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.857 0.361 . . . . 73.45 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.45 -32.56 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.03 110.907 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -64.79 -32.85 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 64.42 110.862 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.7 -32.93 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 72.04 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.06 -46.28 90.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.872 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.93 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 50.04 111.079 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.97 -50.31 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.911 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.85 -39.73 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.14 111.091 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.4 -27.02 68.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.927 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.62 -46.69 88.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 75.52 110.917 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.2 t -74.84 -40.79 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.33 111.111 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.22 -7.88 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.44 110.911 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -15.35 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 54.34 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.96 138.06 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.915 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.32 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.854 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.09 -50.24 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -62.74 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.44 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -65.76 -48.27 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.05 110.886 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.361 . . . . 64.42 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -55.62 -29.43 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.931 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -52.52 -48.83 65.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 63.34 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -73.83 -32.09 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.73 -23.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.085 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -111.47 -14.47 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.932 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.31 39.92 21.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 73.42 112.454 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.74 152.41 69.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 71.32 111.136 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 75.45 112.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -78.89 -7.28 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -111.42 1.66 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 158.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 62.42 111.124 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -107.48 159.7 16.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.846 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -54.2 -27.29 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 64.44 110.869 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -49.84 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.928 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.76 -35.92 79.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.875 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.53 -32.86 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.04 111.125 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.98 -40.26 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.881 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.25 -47.61 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.866 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.74 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 64.11 111.109 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -72.51 -34.82 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -74.81 -47.81 28.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.973 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.61 -34.82 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 72.43 110.956 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -41.42 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.93 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.05 82.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.065 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -57.3 -23.4 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.922 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.89 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 74.03 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -58.77 -33.61 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -59.06 -32.83 70.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.874 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -65.09 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.36 -53.07 48.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.901 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.79 -50.23 74.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.902 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.59 -42.91 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.12 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.3 -26.91 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.906 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.94 -48.7 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 74.41 110.905 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.4 t -74.89 -39.23 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.095 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.31 -7.88 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.936 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -75.12 -16.15 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.05 132.21 31.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.05 -43.89 78.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.76 -50.8 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.133 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -62.54 -46.55 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.41 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -60.57 -43.76 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.861 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.941 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 70.53 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -60.12 -25.3 65.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.936 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -51.86 -49.01 63.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -70.09 -41.53 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.23 -22.72 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.51 111.132 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt -107.66 -15.45 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.922 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.61 65.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 71.3 112.486 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.79 152.52 43.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 75.13 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 175.74 7.74 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 72.23 112.323 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mmm-85 -78.78 -8.85 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -111.81 2.4 17.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.55 156.78 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 52.22 111.117 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -107.47 168.9 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.871 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -60.57 -26.34 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.926 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -75.52 -47.27 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.922 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.03 -38.83 92.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 64.35 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.7 mt -59.33 -35.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 75.1 111.153 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.917 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -72.33 -47.88 46.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.883 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.45 111.09 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.68 -34.67 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 74.24 110.919 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -75.41 -47.73 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -59.59 -34.16 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.95 -41.73 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.3 110.943 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.93 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 63.31 111.078 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -62.46 -23.06 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.874 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 74.52 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.18 -33.92 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.907 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -64.02 -33.64 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.53 110.872 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.65 -30.56 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 64.32 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -63.37 -52.8 60.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.901 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 63.45 111.1 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.96 -50.18 69.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.49 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 74.24 111.115 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -66.93 -26.92 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 74.53 110.893 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.66 -49.98 75.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.22 110.826 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.15 -38.9 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 74.21 111.107 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.49 -7.5 52.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 70.11 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -73.75 -17.13 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.54 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -131.77 141.44 49.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 64.01 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.2 -38.74 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.88 -54.06 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 51.53 111.13 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -62.87 -46.71 86.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -56.91 -41.95 79.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.85 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 74.42 110.89 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 71.42 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -51.89 -35.45 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.908 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -51.24 -48.52 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.957 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.9 -40.39 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.5 110.924 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.14 -33.29 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.25 111.146 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt -94.38 -15.56 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.907 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.15 62.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 73.33 112.519 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.07 152.7 44.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 72.21 111.183 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.63 7.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 70.51 112.357 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -9.11 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.55 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -115.16 6.72 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 65.33 110.9 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 160.79 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 65.11 111.09 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.63 171.62 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -64.34 -26.32 68.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.925 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.21 -41.25 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.874 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -66.66 -28.76 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.1 mt -72.26 -34.37 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.109 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.46 -41.22 93.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.87 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -74.05 -48.0 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.79 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.119 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.23 -34.68 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.41 -48.26 28.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 72.43 110.874 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.79 -34.48 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.86 -41.76 64.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.917 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.97 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.21 111.107 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -57.94 -22.5 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.925 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.875 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.807 0.336 . . . . 74.1 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.29 -32.86 74.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.7 t -58.49 -36.06 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.22 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -64.71 -27.4 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.02 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.8 mt -66.22 -52.86 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.53 85.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.109 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.95 -47.9 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.894 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.19 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -71.8 -26.79 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.88 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.47 -49.85 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.69 -42.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.134 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.26 -11.81 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.874 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 t -73.73 -12.92 60.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.854 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -137.23 137.16 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.18 -40.46 97.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 63.3 110.904 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.28 -49.98 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -63.53 -44.12 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.42 110.865 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -63.89 -41.27 97.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.869 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 64.21 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.81 -32.22 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.956 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -51.83 -40.82 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 74.43 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -75.48 -40.79 56.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.39 -21.85 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.15 111.159 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.2 mt -108.1 -16.77 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.53 110.869 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 25.43 61.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 72.21 112.491 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 m -110.93 152.58 43.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 72.14 111.108 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 63.23 112.314 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -8.65 58.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.922 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -113.68 4.83 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.32 160.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.075 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -107.52 159.74 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.806 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -56.13 -27.56 54.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 74.14 110.886 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -78.06 -46.49 20.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.17 -30.22 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 mt -67.03 -32.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 71.33 111.108 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -61.98 -40.72 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.861 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -67.87 -48.14 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 75.13 110.9 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.9 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.35 111.122 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.84 -34.98 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 63.15 110.915 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -76.96 -47.4 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.952 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.56 -40.98 55.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.901 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.54 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.062 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -61.18 -20.12 62.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.9 179.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.791 0.329 . . . . 72.43 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -58.79 -38.86 79.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.89 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -60.86 -35.05 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.35 110.842 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.21 -29.18 69.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.956 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.88 -48.51 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.07 -33.3 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.141 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.37 -50.22 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.57 -40.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.147 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -61.54 -28.27 69.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.943 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.66 -45.55 93.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 73.14 110.891 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.0 t -74.89 -42.22 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.108 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.51 -8.11 54.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.947 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -73.53 -15.51 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.1 110.827 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.34 134.14 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.05 -42.43 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.873 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.22 -51.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -62.33 -46.67 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.925 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.36 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 74.55 110.909 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.758 0.314 . . . . 74.45 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 21.2 ptm -94.01 169.38 10.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.889 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.41 155.86 26.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 70.24 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.76 160.92 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.33 111.119 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -103.64 81.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -88.91 169.66 11.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 42.52 110.913 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -109.55 164.95 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 71.04 110.883 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -60.17 -29.83 68.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.944 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.66 -42.15 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 75.31 110.91 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -75.57 -40.74 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.911 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.98 -22.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.124 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -107.77 -16.5 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.937 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 25.5 61.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 72.41 112.451 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -111.36 152.59 43.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 55.23 111.131 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.7 7.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 75.43 112.364 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -78.82 -8.92 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -114.7 5.75 15.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.934 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.31 160.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 73.02 111.12 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -107.5 161.56 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 64.02 110.875 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -57.43 -27.05 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 62.13 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -78.09 -45.85 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.869 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.78 -29.84 71.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.5 mt -68.9 -32.75 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -70.97 -46.61 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.91 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.16 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 75.54 111.115 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -72.72 -34.84 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 73.44 110.913 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -75.35 -47.68 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -59.61 -34.09 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.899 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.9 -41.26 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.15 110.933 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.75 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.108 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.94 -24.48 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -77.93 -35.85 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -103.37 24.66 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.916 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.9 160.46 73.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.581 0.705 . . . . 74.2 110.867 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.234 . . . . 74.42 112.385 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.26 -22.74 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -105.63 3.6 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.214 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -81.35 -0.76 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 64.4 110.88 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -40.35 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.92 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.5 17.73 13.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.863 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -148.56 80.88 8.13 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.634 0.73 . . . . 72.53 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 62.34 112.35 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -95.51 -18.71 20.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.872 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.01 66.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.109 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -57.21 -41.73 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.877 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.32 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.3 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -71.13 -35.01 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.918 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -58.71 -31.95 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.891 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 t -70.21 -33.76 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.842 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.15 -29.65 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.89 -47.44 77.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.99 71.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.117 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.14 -50.31 64.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 54.51 110.905 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.8 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 52.01 111.123 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -63.5 -27.15 69.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.934 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.78 -46.13 90.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.51 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 t -74.73 -41.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.101 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.78 -8.23 55.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 70.32 110.93 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t -73.6 -16.0 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.854 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -134.31 129.71 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.862 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.7 -41.01 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.865 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.89 -49.83 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.136 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -63.92 -42.89 97.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.899 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -64.44 -46.79 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.833 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -65.81 -44.89 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -58.97 -41.51 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.92 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.898 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.14 -28.56 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.868 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.107 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.06 26.16 6.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 75.35 110.928 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.52 174.03 30.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 65.12 112.493 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 72.43 110.843 -179.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 44.8 m80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 73.13 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -102.16 117.7 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.865 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 116.68 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 161.21 27.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.132 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -52.66 163.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -114.23 133.61 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.76 150.13 26.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.51 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -59.97 -27.69 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.931 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -51.8 -43.14 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 74.13 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -74.88 -41.52 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.04 -22.51 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.13 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -108.4 -16.41 14.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 65.2 110.918 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.19 24.75 63.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 72.04 112.509 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -110.51 152.57 43.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 75.52 111.132 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 175.51 7.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.42 112.337 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -78.82 -8.81 59.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.846 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -114.33 5.52 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.15 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.23 159.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 63.53 111.064 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.7 m -107.49 163.24 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.863 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.62 -27.53 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.42 110.859 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -78.1 -40.63 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 74.35 110.897 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.7 mt -64.84 -32.77 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.145 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -62.72 -40.3 96.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.908 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -70.24 -47.68 60.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.897 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.05 72.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 65.1 111.103 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -72.65 -34.76 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.912 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -74.98 -47.82 27.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.939 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -59.68 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.78 -41.35 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.931 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.46 -39.88 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 54.21 111.088 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -61.52 -22.26 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -79.07 -35.8 41.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.877 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -105.97 24.51 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 65.32 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 160.5 56.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 64.35 110.843 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.14 32.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.643 2.229 . . . . 64.33 112.374 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.92 -22.34 49.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.1 110.879 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.9 p -104.55 1.92 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.111 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -79.92 -2.48 43.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.906 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -40.42 60.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.47 17.87 13.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.21 80.89 8.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 72.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -7.67 21.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.721 2.281 . . . . 64.42 112.324 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -95.54 -18.37 20.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.869 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.08 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.093 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.43 -40.4 78.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.832 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.15 -40.13 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 71.4 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.64 -34.36 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -61.11 -32.05 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.848 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 t -65.86 -33.22 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.92 -28.62 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.953 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.73 -48.26 72.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.0 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 71.13 111.118 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.28 -50.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.908 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.75 -39.36 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.063 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -62.89 -27.24 69.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.923 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.04 -45.03 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 75.42 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.0 t -74.25 -43.23 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.41 111.18 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.24 -8.14 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.934 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -15.38 61.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.861 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -135.9 137.12 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 70.33 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -58.98 -42.85 90.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 t -57.77 -53.79 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.53 111.144 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -62.57 -46.84 86.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.94 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -57.55 -48.02 80.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.857 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -65.29 -43.64 90.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.916 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -58.92 -35.19 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.955 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -73.02 -37.97 66.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.05 110.948 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 -30.02 70.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 73.31 110.846 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.42 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.131 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -107.19 26.26 10.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 72.11 110.905 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.32 -175.52 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.73 -0.748 . . . . 64.22 112.43 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 65.55 110.874 -179.751 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.808 0.337 . . . . 71.01 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 mtt -139.34 138.42 36.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 72.22 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.97 145.62 49.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.918 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.9 156.31 37.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.31 111.054 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -104.23 149.9 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.03 110.929 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -110.89 150.88 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.87 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.12 161.16 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 72.4 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.96 -29.38 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.947 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -51.78 -44.88 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 71.54 110.92 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.11 -42.02 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 73.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.29 -22.47 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 73.43 111.109 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.86 -17.17 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 71.11 110.877 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.13 60.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 51.35 112.481 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -112.33 152.86 44.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 74.31 111.126 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.51 8.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 74.31 112.331 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -78.77 -8.78 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.884 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -113.11 3.94 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.4 159.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.4 111.148 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 169.65 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.894 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.96 -26.31 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.926 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -77.79 -42.56 33.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.94 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.6 -32.87 74.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.91 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 mt -67.16 -33.8 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 74.55 111.107 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -61.8 -40.44 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.45 110.884 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -72.03 -48.03 47.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.12 110.894 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.14 111.151 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -72.72 -34.73 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.961 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -75.23 -47.74 26.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -59.58 -34.37 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.87 -41.72 64.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.52 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.71 -39.23 76.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 72.2 111.094 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -61.97 -22.37 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.04 110.928 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -78.76 -35.86 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -105.29 22.07 16.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.977 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.45 160.7 23.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.692 . . . . 75.53 110.862 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -14.84 36.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.225 . . . . 61.41 112.369 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.33 -21.76 62.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.842 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -110.07 9.93 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 71.23 111.147 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.92 11.92 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -40.5 94.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.896 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -118.61 12.98 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -137.94 81.13 28.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.596 0.713 . . . . 70.32 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 74.54 112.307 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -94.16 -21.33 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.19 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.15 111.141 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -57.92 -36.24 72.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.24 110.948 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.03 -38.75 79.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.864 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -71.13 -34.34 70.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.906 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -61.42 -33.11 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -64.32 -33.21 75.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.881 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.78 -51.73 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.94 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.59 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.114 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 71.44 110.854 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.9 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.128 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -57.7 -28.74 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.901 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.55 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.45 -44.24 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.15 111.177 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.17 -8.18 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.896 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t -73.58 -13.68 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.85 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.0 131.43 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 73.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.916 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.84 -52.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 72.3 111.154 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -61.79 -46.58 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.912 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -46.78 87.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -63.38 -42.16 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -59.03 -38.52 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 70.21 110.905 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -72.4 -38.06 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.905 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.0 -29.03 69.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 74.14 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.24 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.07 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -97.9 26.19 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 71.32 110.912 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.88 -170.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 73.03 112.475 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 61.23 110.893 -179.765 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 73.34 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.4 ptp -150.23 136.4 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.876 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.59 133.19 40.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.938 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.5 143.63 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.086 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -77.62 144.87 37.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.926 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -100.48 152.89 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 70.04 110.866 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -118.17 157.3 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 75.05 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -53.32 -36.59 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 75.22 110.936 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -51.83 -48.01 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 75.14 110.936 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -73.13 -39.49 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 64.13 110.897 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.7 -23.3 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.04 111.161 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -108.07 -15.55 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.927 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 27.14 58.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 64.4 112.484 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.07 152.61 45.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.657 0.742 . . . . 74.34 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 71.51 112.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -78.76 -8.28 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.872 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -113.52 4.0 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.907 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.4 160.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 60.3 111.101 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -107.48 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.53 110.83 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.96 -26.59 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 72.52 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -78.09 -42.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.78 -30.64 70.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.6 mt -70.21 -35.91 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 111.1 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -39.03 82.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 63.13 110.903 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -73.9 -47.93 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.26 -31.28 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.03 111.105 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.86 -34.83 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.37 -47.48 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 63.15 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.84 -41.53 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.7 -39.81 78.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.22 111.115 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -61.02 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 62.3 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -72.92 -38.6 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -101.92 20.65 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 160.46 13.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.742 . . . . 75.42 110.808 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.63 24.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 73.05 112.393 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.22 -22.81 54.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.03 110.903 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -109.82 1.83 19.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.16 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -79.58 -6.06 56.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.4 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -40.47 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.4 110.903 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.45 19.9 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.893 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -147.24 80.74 9.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.602 0.715 . . . . 74.44 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.58 21.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 73.42 112.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -95.53 -19.97 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.865 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.39 -38.74 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 74.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -57.05 -38.64 73.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.91 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.3 -40.04 93.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.23 110.867 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -70.94 -34.12 71.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -58.69 -32.82 69.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.824 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -65.92 -35.74 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -60.87 -33.12 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -60.75 -48.64 80.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 74.1 110.901 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.64 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.32 111.129 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.5 -50.13 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.855 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.84 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.1 111.107 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -66.32 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.889 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -47.02 87.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 74.3 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.2 t -74.81 -42.65 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.127 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.32 -9.82 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.904 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t -73.56 -12.82 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.87 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -138.0 129.18 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.42 110.907 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -54.44 -38.75 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.83 -50.41 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -61.6 -42.85 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -67.15 -47.35 71.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.56 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.01 -38.94 80.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -73.04 -38.07 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.958 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.14 -29.71 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.45 110.831 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.56 -30.42 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.25 26.7 9.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 73.21 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.7 176.55 22.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.485 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 74.4 110.852 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.6 m80 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.81 0.338 . . . . 72.33 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.2 ttt -126.42 136.26 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.892 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.28 121.45 28.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.925 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.19 159.63 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.24 111.11 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -70.48 151.8 44.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.878 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.37 153.04 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -117.65 155.91 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -61.3 -29.09 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.951 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -51.86 -44.95 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.905 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -73.96 -39.2 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 75.51 110.861 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.51 -23.36 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.12 111.157 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt -106.97 -15.53 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.904 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 24.53 63.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 70.11 112.509 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 152.69 44.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.13 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 175.44 8.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 74.4 112.395 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -78.85 -8.4 58.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.89 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -113.39 3.88 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.53 110.868 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.4 159.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.092 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.45 166.87 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 73.15 110.841 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -61.68 -26.28 67.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 74.55 110.954 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -78.07 -43.25 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 75.21 110.834 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.77 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 72.05 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.7 mt -66.21 -34.46 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.164 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.24 -40.44 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.91 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.07 -47.67 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.931 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 73.5 111.093 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -72.86 -34.82 66.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.912 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -75.4 -47.53 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 73.41 110.894 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.64 -34.15 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.958 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.13 -41.28 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.896 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.56 -42.0 82.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 74.25 111.103 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.31 -29.64 67.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 71.22 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -72.0 -35.85 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.884 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -102.83 23.95 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 160.47 64.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 74.32 110.864 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.66 33.29 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.245 . . . . 64.33 112.352 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -75.43 -23.0 56.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 73.33 110.821 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 p -105.39 2.91 29.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.097 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -80.44 -1.71 42.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 71.32 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -40.39 59.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.899 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -118.5 18.09 13.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.838 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -148.74 80.78 8.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 70.13 110.908 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.64 21.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 74.12 112.35 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -95.53 -18.55 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.36 -33.72 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.14 111.15 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.14 -42.15 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -64.78 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 74.05 110.864 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -71.1 -35.26 71.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.891 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.54 -31.97 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.832 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -69.64 -32.79 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.74 -32.36 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.02 -50.21 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 72.23 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.2 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.095 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -64.95 -50.29 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.58 -40.35 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 71.11 111.137 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -61.88 -26.89 68.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.5 110.898 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.62 -43.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.34 111.135 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mp -70.29 -10.55 59.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.928 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 -12.06 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.847 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.85 128.53 26.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.864 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.55 -41.25 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 61.42 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.67 -51.11 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.134 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -61.74 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.916 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -64.81 -47.92 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.881 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -62.85 -44.64 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 74.34 110.88 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.08 -46.32 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.866 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.93 -35.09 77.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.961 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.67 -31.52 72.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 63.32 110.863 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.44 68.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.103 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -14.41 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.942 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.67 154.85 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.05 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 65.1 110.838 -179.726 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.832 0.348 . . . . 64.41 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.19 134.56 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.31 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.42 135.44 38.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.45 160.59 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.12 111.122 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.97 168.76 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 64.22 110.929 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -115.69 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 70.24 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.48 150.75 41.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -51.86 -33.78 37.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.926 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -51.66 -42.59 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.44 110.887 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.54 -35.67 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 62.23 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.86 -28.75 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.134 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mt -99.84 -16.48 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 73.13 110.928 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.07 30.29 51.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 74.15 112.476 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.55 152.48 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.722 . . . . 74.34 111.106 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.65 7.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 75.34 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -78.93 -8.92 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.848 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -115.25 6.24 14.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.881 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.05 160.83 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.063 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -107.51 168.81 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.824 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -62.36 -26.41 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 75.43 110.899 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.46 -42.58 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.92 -28.52 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 75.11 110.851 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 mt -71.66 -35.26 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.42 111.142 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -59.47 -41.31 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.91 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.73 -48.07 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.01 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.104 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -72.52 -34.75 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.966 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -75.06 -47.91 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 74.21 110.894 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.936 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.63 -41.33 65.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.25 110.917 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.13 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 72.04 111.095 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.29 -23.46 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -80.08 -36.24 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.946 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -102.58 22.06 14.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 160.59 45.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 75.32 110.88 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -24.37 29.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.41 112.415 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -60.57 -21.45 62.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.862 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.2 p -109.49 6.7 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.181 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -86.2 -3.37 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.51 110.858 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -51.58 -40.33 59.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.89 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.48 17.75 13.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.85 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -145.91 80.8 10.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.634 0.731 . . . . 74.43 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.56 21.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 74.41 112.326 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -95.13 -20.47 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.914 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.62 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 72.03 111.085 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -57.01 -40.24 76.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.875 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -65.04 -36.2 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -71.06 -38.42 72.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.925 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -58.65 -34.07 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.892 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -64.82 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.879 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -60.79 -29.4 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 64.33 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.27 -50.46 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.916 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.105 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.43 -50.05 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.98 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 74.41 111.079 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -70.53 -27.07 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.917 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.1 -50.17 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.22 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.6 t -74.82 -42.66 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.127 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.08 -12.11 60.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.886 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 t -73.62 -11.43 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.851 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.32 129.52 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.12 -42.15 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.93 -50.3 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 64.43 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -63.23 -47.19 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.905 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.92 -41.59 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 75.53 110.889 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.84 -44.58 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.911 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.09 -49.09 79.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -62.96 -35.34 79.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.943 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -27.47 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 61.35 110.876 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.18 69.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.33 111.086 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -96.15 26.33 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.903 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.73 132.6 26.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 74.5 112.495 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 75.21 110.881 -179.74 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.9 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 73.21 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mtp -67.62 -51.65 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.87 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -75.92 148.42 38.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 71.13 110.949 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.16 139.83 30.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.42 111.068 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 130.58 42.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 70.1 110.877 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -110.58 161.87 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.01 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.04 153.49 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -54.91 -30.98 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.861 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -51.86 -43.64 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 72.4 110.952 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -75.45 -38.04 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.87 -22.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.45 111.105 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.95 -14.63 14.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 65.34 110.91 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 23.51 65.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 63.21 112.533 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.6 m -110.4 152.37 43.25 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 74.31 111.136 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 175.28 8.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 52.43 112.369 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.79 -8.56 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.893 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -113.89 4.7 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.898 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.46 159.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.53 111.089 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -107.57 163.68 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.817 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -59.66 -26.69 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -78.1 -40.72 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.64 -36.05 78.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 mt -61.27 -32.75 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.151 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.37 -40.43 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.934 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -68.1 -48.04 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.12 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -72.54 -34.66 67.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.929 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.76 -47.83 28.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -59.78 -34.73 73.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.8 -41.35 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.63 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.082 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -58.29 -22.2 51.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.5 110.928 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -75.62 -35.91 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.904 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -113.58 25.71 11.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.951 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 159.94 3.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 62.21 110.854 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -19.55 36.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 63.04 112.376 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -23.11 67.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.887 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 p -110.59 5.92 21.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 65.2 111.175 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -86.09 -12.79 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -40.33 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.45 110.913 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.44 18.68 13.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 70.31 110.827 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -139.11 81.7 20.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 73.1 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.75 21.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 75.54 112.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -94.36 -22.9 18.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 75.21 110.923 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.98 94.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.43 111.064 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.83 -32.1 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.915 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -73.81 -40.61 63.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.875 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.67 -38.71 77.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.896 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -59.65 -32.0 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.7 t -58.63 -32.99 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.51 110.894 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -67.21 -27.6 67.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.58 -50.81 33.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.92 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.9 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 72.24 111.134 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.82 -50.2 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.46 -35.79 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 72.25 111.132 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -67.46 -27.0 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.873 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.13 -47.19 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.23 110.824 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.92 -41.39 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.125 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mp -73.0 -8.49 55.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.939 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 t -73.61 -15.91 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.05 110.846 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 73.32 110.865 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.29 -42.98 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.893 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -49.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 71.42 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -63.29 -45.77 89.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.895 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.04 -48.59 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.874 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.82 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -58.98 -36.42 74.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.68 -38.06 76.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 72.51 110.904 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.09 -25.79 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 64.44 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.18 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 74.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -101.8 26.18 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.913 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.54 169.56 54.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 71.21 112.507 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 43.44 110.843 -179.742 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 70.34 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.8 mtt -93.84 -50.36 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.12 110.887 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -63.48 143.26 57.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.28 141.74 57.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 61.15 111.121 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -68.85 130.16 42.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.881 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.0 157.62 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.869 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.35 148.55 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 65.35 110.902 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -51.81 -33.48 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.897 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -51.51 -46.3 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 72.42 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.49 -39.38 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.931 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.48 -32.46 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.125 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mt -95.58 -15.81 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.914 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 26.51 59.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 55.34 112.491 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -114.12 152.63 46.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.647 0.737 . . . . 50.43 111.12 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 175.31 8.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 74.4 112.37 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -78.93 -8.35 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 75.12 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -115.03 5.65 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 160.34 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.43 111.121 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -107.52 173.18 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.876 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -65.51 -26.37 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.77 -40.79 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -32.83 74.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.7 mt -66.8 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 72.15 111.119 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.69 -40.98 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.889 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -73.1 -47.94 40.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.886 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.85 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.11 111.103 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.4 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 72.32 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -74.55 -48.01 29.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.971 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -59.9 -34.34 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 72.01 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.79 -41.56 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 74.52 110.902 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.55 -43.2 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.55 111.12 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -57.37 -23.51 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -75.26 -35.77 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 75.35 110.894 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -112.72 25.6 11.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.935 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 160.17 4.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 72.0 110.821 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.02 32.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.696 2.264 . . . . 70.32 112.31 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -59.26 -23.9 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -110.42 8.76 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.02 111.138 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.97 -12.39 38.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.19 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.922 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -118.3 19.24 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.869 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.55 81.15 13.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 72.51 110.866 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.83 22.07 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.68 2.254 . . . . 52.01 112.326 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -94.29 -18.2 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 75.41 110.891 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.0 91.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.03 111.097 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -56.92 -33.24 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.68 -39.67 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 72.43 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -70.93 -34.27 71.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.919 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.19 -33.49 75.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.908 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 t -59.12 -35.2 73.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.904 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.75 -27.11 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 41.2 mt -65.66 -51.22 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.921 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.77 82.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 71.54 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -60.75 -49.97 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 61.44 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.03 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.04 111.146 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -70.77 -26.75 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.923 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.09 -50.07 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 74.3 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.86 -41.9 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.05 111.12 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.26 -11.2 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -73.64 -13.55 61.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.53 110.889 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.72 139.96 40.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 61.23 110.878 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.97 -37.16 85.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.6 -49.5 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.89 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -63.79 -41.52 97.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.868 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -63.52 -44.99 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.903 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -59.03 -43.45 91.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 72.13 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -69.39 -33.18 72.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.938 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.49 -27.85 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 71.52 110.86 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 71.12 111.122 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.43 26.17 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.931 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.22 -171.99 41.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 75.45 112.47 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.1 110.891 -179.766 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.816 0.341 . . . . 75.55 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.4 ttt -155.11 129.96 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp -68.72 117.41 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.06 141.37 58.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.098 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -97.0 101.23 12.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.55 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -101.05 135.44 42.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 63.53 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -63.14 176.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 75.44 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -66.87 -27.2 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.916 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -51.84 -46.25 64.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.507 . . . . 75.34 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -74.21 -38.14 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.04 110.907 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.96 -20.73 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.14 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mt -110.7 -14.48 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.893 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.46 65.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 73.1 112.493 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -110.85 152.56 43.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 75.12 111.107 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 174.88 8.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 74.43 112.348 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -78.05 -8.83 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.89 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -114.5 5.6 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 70.02 110.884 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.41 158.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.067 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.5 160.64 15.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.841 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -55.65 -26.3 43.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.87 -49.18 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -61.52 -36.65 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.84 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.0 mt -59.56 -32.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.15 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.01 110.866 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.44 -47.73 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 74.53 110.899 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 74.34 111.12 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -72.9 -34.8 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.935 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -75.55 -47.47 26.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.925 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -59.53 -34.38 72.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.2 -41.46 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.902 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.72 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.5 111.048 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -62.89 -23.18 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 70.52 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -77.97 -36.87 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -102.86 21.94 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 71.32 110.936 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.92 160.75 35.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.527 0.679 . . . . 75.54 110.863 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.648 2.232 . . . . 74.02 112.35 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.68 -22.87 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -107.56 7.08 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.4 111.166 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -86.4 -3.1 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -51.56 -40.34 59.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.856 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.35 17.94 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -147.06 80.46 9.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 73.14 110.866 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.52 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 74.33 112.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -95.54 -18.74 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.44 110.852 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.3 -36.16 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 74.3 111.083 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.18 -37.99 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.24 -37.81 86.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 74.15 110.834 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -71.16 -35.78 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.887 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -65.75 -33.71 76.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.861 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -61.98 -34.25 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.35 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.99 -47.92 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.893 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.26 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.122 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.5 -50.18 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 63.31 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -34.21 69.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.31 111.112 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -72.54 -26.83 61.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.21 110.937 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.72 -50.02 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.885 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.4 t -74.85 -38.62 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.53 111.121 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.79 -7.66 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 71.22 110.934 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 t -73.62 -17.78 61.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.64 139.84 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.5 110.891 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -61.81 -41.86 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.884 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.57 -54.01 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -63.65 -47.08 82.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.876 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -57.3 -41.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 74.41 110.881 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.14 -41.94 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.87 -49.2 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.868 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -73.22 -29.24 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.884 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.31 -26.14 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.87 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.85 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.127 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -101.12 27.26 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.919 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.76 174.26 5.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 73.14 112.482 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 74.45 110.879 -179.743 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.838 0.351 . . . . 73.4 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.8 mmt -71.89 122.7 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tp -83.32 134.91 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.89 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.121 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -131.55 118.56 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 75.24 110.908 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.12 150.48 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.895 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.41 164.17 13.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 70.43 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -56.37 -31.89 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.91 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -52.0 -44.01 63.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.918 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -75.25 -37.72 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.4 mt -61.38 -24.36 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.54 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -105.98 -14.42 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.913 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.42 65.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 74.44 112.488 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -110.65 152.55 43.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 75.44 111.149 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 175.23 8.32 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 74.24 112.4 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -78.55 -8.67 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 71.24 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.5 5.52 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.3 160.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 71.23 111.086 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 m -107.47 162.08 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.878 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -57.18 -26.3 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.943 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -47.62 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.45 110.894 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.65 -29.03 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.05 110.857 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.7 mt -70.72 -36.19 63.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.151 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -60.59 -40.2 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -72.49 -48.04 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.08 -31.19 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.079 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.86 -34.76 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.919 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -75.4 -47.5 27.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 73.24 110.918 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -59.59 -34.41 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.874 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.97 -41.49 64.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.91 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.54 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.115 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.16 -24.51 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -73.72 -39.19 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.869 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.84 18.44 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.962 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 160.64 5.25 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.614 0.721 . . . . 74.13 110.858 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -12.0 31.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 72.22 112.339 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -78.51 -20.16 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 74.13 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -109.8 10.04 24.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.12 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -91.33 12.55 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 62.04 110.866 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -40.6 90.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 71.42 110.95 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.64 15.77 13.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.869 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -141.87 81.29 14.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 64.45 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 73.25 112.317 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -94.5 -20.0 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.92 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.24 -37.49 69.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.11 111.143 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -57.96 -43.8 86.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.928 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.97 -37.75 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.916 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -70.88 -34.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 74.5 110.904 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.73 -36.39 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 64.23 110.85 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -62.5 -34.43 76.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.85 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -61.51 -32.9 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 74.13 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.92 -49.61 76.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.87 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.6 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.124 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.51 -50.01 71.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 64.45 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.2 -36.98 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 65.44 111.07 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -68.32 -26.58 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.905 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -49.92 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.86 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.1 t -74.62 -39.28 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 111.123 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.99 -7.8 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.92 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -73.37 -16.68 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -134.17 137.7 44.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 72.15 110.859 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.79 -42.93 94.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 62.54 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.2 t -57.8 -54.02 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 74.22 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -64.06 -46.88 82.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.874 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -57.32 -41.1 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.85 -38.39 78.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.14 -37.37 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 72.34 110.945 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -59.5 -31.34 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 75.33 110.853 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.25 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 73.53 111.1 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -112.04 26.63 10.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.914 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.08 148.91 19.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 74.4 112.498 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 74.31 110.851 -179.74 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.32 . . . . 74.11 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.7 tpt -110.05 129.47 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.85 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.89 123.9 27.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 74.11 110.903 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 161.15 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.44 111.128 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 141.66 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.02 110.896 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -110.15 134.49 52.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.848 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -114.06 159.71 19.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 70.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.06 -26.99 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 74.22 110.892 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -51.91 -45.38 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 70.14 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -73.2 -41.17 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 65.33 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.9 mt -57.89 -22.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 73.54 111.145 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -108.73 -16.25 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.94 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.28 24.79 62.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 72.24 112.501 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.53 152.79 43.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 70.24 111.118 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 175.55 7.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 74.12 112.351 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -78.86 -8.66 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -112.72 3.53 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.39 159.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.098 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -107.47 170.33 8.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 60.24 110.87 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -64.57 -26.39 68.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.64 -40.33 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -68.8 -34.98 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.888 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.9 mt -65.33 -34.96 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.31 111.131 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -60.99 -40.49 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.917 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -72.03 -48.08 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 73.14 110.914 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -72.7 -34.8 67.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.958 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -75.49 -47.65 26.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 72.31 110.91 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -59.49 -33.99 72.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 75.42 110.931 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mp -73.28 -41.69 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.939 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.93 -32.58 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.03 111.095 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.07 -17.6 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -80.43 -35.57 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.54 110.867 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -109.32 27.33 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.928 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 156.39 2.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 75.51 110.846 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.56 28.85 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 73.11 112.401 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.96 -29.36 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.875 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.6 p -110.61 10.41 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -88.74 -11.47 44.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.878 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -54.12 -40.46 67.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 73.3 110.889 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -118.6 11.26 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.834 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.94 82.33 66.77 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.603 0.716 . . . . 72.35 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 72.33 112.343 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -93.17 -19.67 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.01 110.89 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.18 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 64.44 111.066 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -56.94 -32.28 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.867 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.15 -39.89 75.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 72.31 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -71.12 -37.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -65.36 -37.22 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -62.16 -32.94 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.81 -26.91 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.888 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.9 mt -68.12 -48.02 66.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.918 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.07 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.102 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -64.65 -50.31 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 70.33 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.81 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 74.22 111.111 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -60.24 -27.03 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 72.12 110.954 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 72.11 110.882 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.46 -44.24 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 74.14 111.146 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.7 -8.46 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 64.35 110.937 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 t -73.65 -13.74 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.841 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.79 129.72 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -53.51 -42.29 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.872 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.4 -53.07 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 73.33 111.098 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.22 -44.6 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -45.62 94.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.907 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -64.13 -43.14 96.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -58.99 -41.23 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.955 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.0 -34.81 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.943 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -67.15 -31.86 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.936 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.93 91.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 75.22 111.089 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -103.45 26.53 8.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.968 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.76 175.55 19.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.3 112.498 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 63.35 110.86 -179.745 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 25.3 p80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 73.12 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.6 mmm -130.01 148.0 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.876 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 117.28 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 72.41 110.907 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.3 50.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 61.55 111.136 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -53.64 118.17 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.91 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -112.15 136.28 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 75.4 110.834 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.57 159.58 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.22 110.857 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -58.06 -27.37 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.93 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -54.89 -47.7 73.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.34 -31.88 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 62.23 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.69 -23.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.148 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -111.0 -15.68 13.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 75.52 110.93 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.15 39.6 22.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 71.12 112.495 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.22 152.49 67.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 65.43 111.124 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 174.26 9.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 61.32 112.343 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -78.73 -7.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -115.27 5.91 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 70.43 110.88 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.3 159.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.52 111.088 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -107.5 157.31 18.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.854 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -54.71 -27.15 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 73.42 110.894 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -78.05 -40.92 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.39 -36.43 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.77 -32.83 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 73.23 111.165 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -63.14 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.945 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -69.85 -47.02 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.89 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.01 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.45 111.142 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.56 -34.77 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.955 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -74.92 -47.79 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 64.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.62 -41.46 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.939 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.55 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.12 111.095 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.12 -21.06 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.884 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -80.07 -38.52 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 75.31 110.884 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -101.42 22.49 12.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 75.2 110.93 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 160.55 43.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 72.3 110.822 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.99 31.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 75.11 112.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -70.66 -23.64 62.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 74.54 110.859 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -109.19 2.22 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.03 111.159 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -79.55 -5.44 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.5 110.841 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.39 59.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.39 19.46 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.869 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -147.66 80.69 8.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 64.53 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 73.43 112.382 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -95.42 -19.57 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.949 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.18 71.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.097 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -57.12 -37.53 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.84 -39.91 94.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -71.13 -35.78 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -59.14 -32.01 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.855 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -65.84 -34.27 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.858 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -62.15 -33.36 74.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 73.51 110.928 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.16 -45.74 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.898 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.5 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.128 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.45 -50.48 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.96 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.15 111.125 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -63.21 -26.9 69.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.926 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.59 -46.27 90.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 75.54 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.6 t -74.83 -41.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 73.3 111.151 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.5 mt -74.21 -7.69 53.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 t -74.37 -15.61 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.808 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 134.49 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 65.03 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.03 -39.01 80.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.88 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.67 -53.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 64.01 111.162 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -64.23 -45.7 87.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 70.55 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -61.01 -41.65 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -59.06 -38.34 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.88 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.43 -34.4 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.916 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.41 -29.68 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.849 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.32 85.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.061 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -111.06 26.29 10.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.91 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.71 155.89 21.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 32.14 112.481 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 74.5 110.874 -179.732 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 39.6 m80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.331 . . . . 71.45 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.8 mtm -94.36 122.39 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -71.78 138.67 48.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 62.52 110.965 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.75 27.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.32 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -56.7 146.46 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 72.12 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -119.05 143.57 47.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 75.35 110.934 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.41 158.23 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -59.8 -28.07 67.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.893 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -51.93 -45.27 64.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 75.34 110.92 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -72.86 -41.77 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -57.75 -22.92 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.14 111.098 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.77 -15.94 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.901 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.71 65.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.458 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.9 152.75 43.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 74.34 111.151 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.46 8.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 71.42 112.321 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -78.87 -8.59 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -111.73 2.52 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.855 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.36 158.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.44 111.089 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -107.53 170.58 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.869 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.95 -26.34 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -76.43 -43.91 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.847 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mt -59.59 -34.5 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 73.15 111.109 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -61.66 -40.28 94.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.915 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -71.71 -48.07 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.15 110.89 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 63.02 111.119 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.22 110.94 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.52 -47.4 27.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 75.11 110.922 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.59 -33.61 71.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 73.54 110.833 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.92 -41.61 59.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.927 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.75 -32.58 67.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.1 111.103 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -73.38 -26.94 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.84 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -70.36 -37.01 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.893 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -104.85 27.67 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.914 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 156.14 1.95 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 75.45 110.825 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 75.53 112.297 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.06 -29.39 57.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.897 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.9 p -110.69 11.26 22.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 74.14 111.095 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.23 -14.52 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -40.47 60.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 53.31 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -118.55 10.77 12.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.9 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.99 82.29 66.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 73.34 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.72 21.79 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.248 . . . . 70.22 112.339 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.0 -19.81 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.89 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.26 78.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 65.44 111.138 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -56.88 -32.28 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.04 110.891 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.32 -38.69 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -71.13 -38.12 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.3 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -64.96 -40.82 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.54 110.909 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -60.28 -33.32 72.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.73 -27.49 67.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.82 -48.31 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 62.51 110.93 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.78 70.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.52 111.132 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -67.36 -50.24 60.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 65.43 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.59 -37.87 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.08 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -64.81 -27.05 68.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.898 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 75.34 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 t -74.56 -43.73 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.178 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.98 -8.4 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.898 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.56 -14.35 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.886 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -138.37 132.56 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.877 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.57 -41.8 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.888 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.52 -53.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 60.43 111.144 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -62.35 -45.83 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 64.14 110.907 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -59.05 -45.76 89.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.843 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -67.2 -42.88 83.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.947 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -59.03 -36.24 74.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.892 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.12 -36.35 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.03 110.936 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -26.89 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.864 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.48 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.108 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -102.42 26.35 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 72.2 110.92 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.75 148.67 16.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 64.44 112.523 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 71.21 110.832 -179.729 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.344 . . . . 73.12 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.5 mmt -82.0 -65.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 65.44 110.889 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.33 138.25 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.75 137.88 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 61.02 111.084 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -78.03 -179.34 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -109.84 164.05 12.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.948 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.02 154.61 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.04 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -58.17 -32.37 68.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 74.13 110.942 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -52.22 -46.37 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.04 110.927 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -73.21 -39.93 65.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 71.3 110.879 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.56 -24.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.24 111.172 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 mt -105.58 -14.88 15.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.73 65.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 74.53 112.505 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -111.44 152.87 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 74.24 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 175.32 8.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.257 . . . . 70.04 112.333 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -78.8 -8.38 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.3 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -113.59 4.16 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.33 159.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 p -107.48 168.63 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.37 -26.33 68.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.898 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -40.51 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.62 -35.39 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 75.11 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.6 mt -63.3 -34.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 74.55 111.079 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -63.08 -39.35 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.882 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -68.92 -48.02 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.939 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.92 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.086 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -71.86 -34.52 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.45 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -73.65 -48.15 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 72.5 110.914 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.83 -33.87 73.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -73.04 -41.78 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 64.55 110.942 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.81 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.41 111.076 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -76.43 -36.93 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -111.99 25.73 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.866 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 160.11 5.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 74.4 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -22.09 32.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.609 2.206 . . . . 71.03 112.353 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.55 -22.41 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.885 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -110.63 8.12 22.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.116 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -89.25 -1.03 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.64 82.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.898 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.56 14.25 13.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.882 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -134.59 81.3 48.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 72.03 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.83 22.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.703 2.268 . . . . 63.41 112.289 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -23.22 18.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.44 110.851 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.43 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 45.14 111.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.0 -33.4 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.28 -41.31 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 73.54 110.858 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -68.91 -37.51 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.41 -32.34 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 70.45 110.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -59.75 -32.75 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.2 110.858 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.98 -29.0 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 73.02 110.86 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.01 -52.13 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 75.33 110.928 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.073 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.28 -49.93 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.865 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.41 -36.49 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.08 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -68.19 -27.01 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 75.52 110.924 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.41 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 62.42 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.6 t -74.72 -42.58 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 64.22 111.131 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.65 -11.0 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.92 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 t -73.57 -11.99 60.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 64.12 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -136.84 128.42 28.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 73.01 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -55.46 -43.17 75.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.893 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.16 -48.33 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 70.54 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -62.28 -47.41 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.849 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -59.74 -47.86 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.836 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -64.55 -42.72 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 72.52 110.912 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -61.23 -46.22 91.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.86 -31.12 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.927 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.49 -27.9 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 74.43 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -27.44 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.1 111.065 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -102.51 -14.45 16.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.23 110.917 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.26 134.98 12.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 44.44 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 55.04 110.854 -179.75 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 74.21 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 39.5 tpp -107.84 83.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 75.45 110.851 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.29 139.74 30.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.61 134.48 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 54.12 111.094 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 87.36 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -101.16 132.65 46.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.951 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.57 154.14 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.844 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -57.22 -25.94 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.918 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -56.56 -47.82 78.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 73.32 110.94 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.56 -30.06 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 64.53 110.927 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.8 -23.01 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 72.23 111.135 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -111.31 -15.0 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.3 110.897 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 40.78 18.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 70.44 112.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 m -126.03 152.62 73.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 60.43 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 174.88 8.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.24 . . . . 73.33 112.305 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -78.83 -8.03 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.898 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -114.8 5.2 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.21 110.874 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.43 159.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.2 111.1 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p -107.51 158.0 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -52.98 -28.44 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -75.25 -49.87 17.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.5 110.885 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.52 -33.83 74.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.1 mt -67.8 -32.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 72.33 111.168 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -63.67 -38.69 92.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.879 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.85 -46.89 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.9 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.55 111.136 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.72 -34.76 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.911 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.08 -47.74 27.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.7 -34.15 72.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 74.14 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.94 -40.89 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.42 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.21 111.114 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -56.84 -24.76 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.77 -40.43 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.931 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -100.63 23.67 10.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.89 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 160.41 36.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 73.44 110.872 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.68 31.38 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.734 2.289 . . . . 73.24 112.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.57 -22.09 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.891 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.6 p -105.11 1.52 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.51 111.112 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -79.55 -4.42 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -40.32 59.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.926 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -118.48 18.76 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.848 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.85 81.02 8.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 71.33 110.878 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.27 . . . . 73.34 112.329 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 -19.29 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.907 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.3 -36.4 68.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.52 111.093 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -56.96 -42.56 80.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.21 110.893 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.41 -38.06 86.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.912 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt -70.93 -36.04 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.1 110.899 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -59.15 -32.12 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.859 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -65.8 -33.38 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -62.39 -33.74 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 70.33 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.36 -47.88 84.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.908 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.74 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 53.34 111.107 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.39 -50.38 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.36 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.137 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.68 -26.86 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.938 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.46 -46.66 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 71.33 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.0 t -75.0 -40.73 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.24 111.149 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.0 mt -74.27 -7.89 54.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.91 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 t -73.74 -17.01 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 130.22 28.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 55.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.41 -38.71 71.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.42 -51.1 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.54 111.113 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -63.01 -45.05 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.92 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.912 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -63.65 -44.15 94.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.895 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.03 -47.44 85.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.909 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -65.72 -30.77 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.893 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.32 -27.68 68.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 73.1 110.875 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.79 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.52 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -115.43 26.33 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.911 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.56 137.41 14.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 74.03 112.485 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 73.24 110.914 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 72.25 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.4 mtp -63.39 123.51 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 73.32 110.856 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.01 148.81 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.899 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.79 140.43 30.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 62.53 111.09 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.92 116.52 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.905 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -80.3 139.36 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 74.03 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -82.61 152.47 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 61.34 110.888 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -57.05 -25.76 59.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.927 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -56.76 -48.17 78.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 73.32 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.82 -31.15 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 74.02 110.886 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.38 -22.94 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 73.44 111.119 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 mt -111.49 -15.08 13.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.937 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.26 40.93 18.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 54.51 112.501 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.14 152.43 73.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 72.31 111.168 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 70.12 112.338 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -78.82 -8.01 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.872 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -115.21 6.18 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.22 161.34 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.54 111.089 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -107.62 155.29 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 61.34 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -53.02 -28.65 25.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -77.96 -40.85 38.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -69.6 -30.14 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.25 -32.67 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.33 111.099 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -62.86 -39.95 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.885 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -70.09 -45.09 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.927 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.0 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 62.01 111.105 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -72.82 -34.68 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.943 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -75.24 -47.61 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 70.34 110.926 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -59.62 -34.58 72.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.86 -41.37 64.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.42 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.08 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.93 -20.24 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.916 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -79.96 -41.78 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.871 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -97.64 19.0 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.941 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.55 160.59 9.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 74.13 110.834 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.66 33.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.272 . . . . 73.23 112.328 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -78.57 -19.03 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.41 110.865 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -110.24 10.15 23.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.32 111.136 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -91.49 13.2 18.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.888 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -40.58 93.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.896 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.6 15.32 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -142.44 81.11 14.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 74.54 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -7.71 21.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 63.41 112.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -19.32 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.88 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.47 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 54.15 111.12 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.24 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -65.32 -38.34 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.889 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -70.87 -34.3 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 73.45 110.937 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.45 -32.56 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.03 110.907 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -64.79 -32.85 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 64.42 110.862 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.7 -32.93 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 72.04 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.06 -46.28 90.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.872 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.93 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 50.04 111.079 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.97 -50.31 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.911 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.85 -39.73 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.14 111.091 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -62.4 -27.02 68.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.927 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.62 -46.69 88.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 75.52 110.917 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.2 t -74.84 -40.79 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.33 111.111 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.22 -7.88 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.44 110.911 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -15.35 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 54.34 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.96 138.06 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.31 110.915 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.32 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.854 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.09 -50.24 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -62.74 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.44 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -65.76 -48.27 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -60.96 -44.63 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.05 110.886 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -68.13 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.94 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.36 -28.97 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 73.34 110.859 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.9 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.41 111.112 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.15 -14.41 18.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.39 162.16 50.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 74.53 112.452 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 75.34 110.807 -179.738 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.725 0.298 . . . . 71.45 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 mmm -137.74 155.27 49.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.77 125.07 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.9 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.39 142.7 48.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.04 111.075 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -122.24 120.88 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.936 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -103.91 142.33 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.68 151.59 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 64.42 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -55.62 -29.43 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.931 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -52.52 -48.83 65.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 63.34 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -73.83 -32.09 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.73 -23.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.085 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -111.47 -14.47 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.932 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.31 39.92 21.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 73.42 112.454 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.74 152.41 69.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 71.32 111.136 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 75.45 112.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -78.89 -7.28 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -111.42 1.66 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 158.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 62.42 111.124 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -107.48 159.7 16.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.846 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -54.2 -27.29 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 64.44 110.869 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -49.84 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.928 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.76 -35.92 79.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.875 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.53 -32.86 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.04 111.125 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.98 -40.26 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.881 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.25 -47.61 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.866 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.74 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 64.11 111.109 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -72.51 -34.82 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -74.81 -47.81 28.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.973 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.61 -34.82 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 72.43 110.956 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -41.42 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.93 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.05 82.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.065 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -57.3 -23.4 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.922 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.89 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -111.11 25.19 12.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 160.14 5.2 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 74.51 110.895 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -15.07 36.99 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 71.31 112.331 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -68.33 -23.83 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.902 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -110.42 5.0 21.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.25 111.143 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.69 -12.86 53.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -40.33 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 73.1 110.905 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.35 19.16 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 63.51 110.922 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -140.19 81.73 17.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 72.04 110.82 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -7.88 22.19 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.715 2.276 . . . . 75.42 112.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -22.71 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 74.12 110.878 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.43 93.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 64.44 111.101 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -56.91 -31.32 64.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.891 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -73.93 -40.6 62.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.879 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -70.87 -37.51 73.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.907 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -58.77 -33.61 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -59.06 -32.83 70.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.874 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -65.09 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.36 -53.07 48.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.901 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.79 -50.23 74.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.902 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.59 -42.91 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.12 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.3 -26.91 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.906 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.94 -48.7 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 74.41 110.905 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.4 t -74.89 -39.23 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.095 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.31 -7.88 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.936 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -75.12 -16.15 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.05 132.21 31.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.05 -43.89 78.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.76 -50.8 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.133 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -62.54 -46.55 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.41 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -60.57 -43.76 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.861 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -65.53 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.941 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -59.08 -38.84 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 70.53 110.928 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -70.37 -37.13 74.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.909 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.41 -26.49 68.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.896 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.42 -28.28 69.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 63.31 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -109.18 27.22 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.92 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.21 163.51 12.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 73.31 112.466 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 64.25 110.856 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.757 0.313 . . . . 75.34 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 69.9 mtm -127.14 164.91 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 62.43 110.895 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 117.34 22.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.877 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.53 134.04 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 61.12 111.135 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -99.99 138.2 37.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.862 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -98.89 135.8 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.11 110.926 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.6 146.84 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 70.53 110.882 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -60.12 -25.3 65.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.936 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -51.86 -49.01 63.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -70.09 -41.53 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.23 -22.72 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.51 111.132 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt -107.66 -15.45 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.922 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.61 65.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 71.3 112.486 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.79 152.52 43.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 75.13 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 175.74 7.74 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 72.23 112.323 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mmm-85 -78.78 -8.85 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -111.81 2.4 17.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.55 156.78 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 52.22 111.117 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -107.47 168.9 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.871 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -60.57 -26.34 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.926 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -75.52 -47.27 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.922 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.03 -38.83 92.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 64.35 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.7 mt -59.33 -35.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 75.1 111.153 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.917 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -72.33 -47.88 46.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.883 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.45 111.09 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.68 -34.67 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 74.24 110.919 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -75.41 -47.73 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -59.59 -34.16 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.95 -41.73 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.3 110.943 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.93 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 63.31 111.078 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -62.46 -23.06 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -77.87 -36.37 49.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.874 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -104.29 22.23 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 70.32 110.927 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 160.72 30.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 75.23 110.913 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.07 30.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 74.33 112.328 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -78.29 -20.68 51.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.851 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.6 p -110.22 10.15 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.18 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -91.09 12.38 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.905 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.58 92.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.89 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -118.55 15.17 13.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 71.32 110.853 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -141.38 81.18 15.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.615 0.722 . . . . 75.52 110.889 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.75 21.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.248 . . . . 73.43 112.327 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -94.66 -19.8 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.51 110.899 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.53 -38.98 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 75.15 111.083 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -57.11 -41.72 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.941 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.98 -38.11 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -71.13 -34.24 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.18 -33.92 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.907 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -64.02 -33.64 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.53 110.872 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.65 -30.56 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 64.32 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -63.37 -52.8 60.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.901 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 63.45 111.1 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.96 -50.18 69.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.49 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 74.24 111.115 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -66.93 -26.92 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 74.53 110.893 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.66 -49.98 75.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.22 110.826 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.15 -38.9 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 74.21 111.107 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.49 -7.5 52.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 70.11 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -73.75 -17.13 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.54 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -131.77 141.44 49.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 64.01 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.2 -38.74 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.88 -54.06 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 51.53 111.13 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -62.87 -46.71 86.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.904 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -56.91 -41.95 79.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.85 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -67.33 -40.53 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 74.42 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.84 -47.97 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 63.23 110.91 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.57 -33.21 75.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -61.48 -33.24 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.87 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 73.4 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.24 27.38 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.52 146.75 16.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 62.51 112.502 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 72.35 110.89 -179.735 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 64.9 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 73.41 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.93 178.9 4.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 70.11 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mp -69.69 131.05 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.921 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.33 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.118 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -84.23 100.22 11.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.836 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.7 140.59 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 64.01 110.883 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.31 152.79 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.824 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -51.89 -35.45 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.908 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -51.24 -48.52 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.957 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.9 -40.39 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.5 110.924 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.14 -33.29 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.25 111.146 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt -94.38 -15.56 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.44 110.907 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.15 62.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 73.33 112.519 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.07 152.7 44.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 72.21 111.183 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.63 7.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 70.51 112.357 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -9.11 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.55 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -115.16 6.72 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 65.33 110.9 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 160.79 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 65.11 111.09 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.63 171.62 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -64.34 -26.32 68.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.925 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.21 -41.25 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.874 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -66.66 -28.76 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.1 mt -72.26 -34.37 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.109 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.46 -41.22 93.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.87 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -74.05 -48.0 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.79 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.119 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.23 -34.68 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.41 -48.26 28.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 72.43 110.874 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.79 -34.48 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.86 -41.76 64.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.917 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.97 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.21 111.107 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -57.94 -22.5 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.925 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -75.54 -35.72 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.875 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -113.88 26.01 10.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.93 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 159.98 4.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 74.42 110.879 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.92 31.59 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.693 2.262 . . . . 72.21 112.365 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.74 -21.98 64.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.7 p -110.26 5.73 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.163 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -86.11 -6.52 59.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.866 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -40.38 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 75.43 110.922 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.43 15.7 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 75.52 110.83 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -136.86 81.44 33.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 74.31 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 73.24 112.295 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -93.3 -22.71 18.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.01 110.875 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.37 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 62.21 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -56.95 -32.3 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -73.55 -43.87 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.902 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.29 -32.86 74.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.7 t -58.49 -36.06 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.22 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -64.71 -27.4 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.02 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.8 mt -66.22 -52.86 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.53 85.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.109 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.95 -47.9 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.894 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.19 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -71.8 -26.79 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.88 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.47 -49.85 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.69 -42.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.134 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.26 -11.81 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.874 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 t -73.73 -12.92 60.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.854 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -137.23 137.16 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.18 -40.46 97.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 63.3 110.904 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.28 -49.98 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -63.53 -44.12 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.42 110.865 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -63.89 -41.27 97.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -63.96 -46.06 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -60.54 -49.1 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.886 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -67.65 -29.07 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.927 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.76 -26.32 66.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 74.23 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.86 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 64.33 111.096 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -96.44 26.39 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 75.13 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.35 -172.48 35.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 73.51 112.483 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 72.42 110.882 -179.744 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.775 0.321 . . . . 74.21 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -70.48 175.53 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.873 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.45 124.61 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.22 110.946 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.16 143.04 27.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 73.23 111.115 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -128.54 117.99 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.89 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.73 150.22 40.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 72.15 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -103.98 169.9 8.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 64.21 110.881 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -61.81 -32.22 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.956 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -51.83 -40.82 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 74.43 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -75.48 -40.79 56.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.39 -21.85 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.15 111.159 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.2 mt -108.1 -16.77 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.53 110.869 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 25.43 61.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 72.21 112.491 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 m -110.93 152.58 43.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 72.14 111.108 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 63.23 112.314 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -8.65 58.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.922 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -113.68 4.83 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.32 160.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.075 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -107.52 159.74 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.806 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -56.13 -27.56 54.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 74.14 110.886 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -78.06 -46.49 20.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.17 -30.22 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 mt -67.03 -32.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 71.33 111.108 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -61.98 -40.72 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.861 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -67.87 -48.14 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 75.13 110.9 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.9 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.35 111.122 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.84 -34.98 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 63.15 110.915 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -76.96 -47.4 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.952 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.56 -40.98 55.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.901 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.54 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.062 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -61.18 -20.12 62.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -80.99 -38.72 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.9 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -102.3 21.53 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.2 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.74 160.63 18.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 71.44 110.835 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.65 33.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 73.44 112.301 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -78.42 -19.71 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 62.54 110.838 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -109.39 10.27 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.21 111.118 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -91.62 13.34 18.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.856 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -40.59 93.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.883 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.67 15.02 13.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.832 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -141.86 81.32 14.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 75.32 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.67 21.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 74.25 112.358 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -94.62 -19.61 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.27 -36.51 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.12 111.091 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.38 -42.95 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 74.5 110.902 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -65.66 -37.46 86.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.887 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.96 -34.38 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -58.79 -38.86 79.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.89 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -60.86 -35.05 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.35 110.842 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.21 -29.18 69.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.956 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.88 -48.51 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.07 -33.3 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.141 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.37 -50.22 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.57 -40.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.147 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -61.54 -28.27 69.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.943 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.66 -45.55 93.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 73.14 110.891 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.0 t -74.89 -42.22 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.108 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.51 -8.11 54.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.947 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -73.53 -15.51 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.1 110.827 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.34 134.14 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.05 -42.43 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.873 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.22 -51.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -62.33 -46.67 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.925 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.36 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -63.0 -41.12 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 74.55 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -59.05 -41.89 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.41 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.18 -37.04 66.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.948 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.35 -26.83 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 54.14 110.884 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.32 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.073 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -105.58 26.38 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 74.5 110.929 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.52 -167.47 39.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 63.11 112.467 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 64.12 110.858 -179.727 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.812 0.339 . . . . 71.04 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.749 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 14.4 m-85 -60.17 -29.83 68.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.944 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.66 -42.15 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 75.31 110.91 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -75.57 -40.74 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.911 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.0 mt -58.98 -22.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.124 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.819 HD13 HG23 ' A' ' 23' ' ' ILE . 13.0 mt -107.77 -16.5 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.937 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 25.5 61.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 72.41 112.451 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -111.36 152.59 43.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 55.23 111.131 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.597 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.81 175.7 7.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 41.12 112.364 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -78.82 -8.92 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -114.7 5.75 15.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.934 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.597 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.31 160.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 71.44 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -107.5 161.56 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 33.33 110.875 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' A' ' 23' ' ' ILE . 16.9 mm-40 -57.43 -27.05 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 62.11 110.895 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -78.09 -45.85 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.869 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.78 -29.84 71.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.819 HG23 HD13 ' A' ' 12' ' ' LEU . 16.5 mt -68.9 -32.75 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.41 111.128 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -70.97 -46.61 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.91 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.16 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 75.54 111.115 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -72.72 -34.84 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 72.02 110.913 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -75.35 -47.68 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -59.61 -34.09 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.899 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.9 -41.26 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.933 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.57 -39.75 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.108 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.94 -24.48 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.871 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 73.33 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.422 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 45.1 t80 -58.71 -31.95 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.02 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 t -70.21 -33.76 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.842 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.15 -29.65 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 30' ' ' LEU . 12.1 mt -64.89 -47.44 77.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.89 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.99 71.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.117 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.14 -50.31 64.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 54.11 110.905 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.749 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.67 -38.8 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 51.24 111.123 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.77 ' HA ' HD11 ' A' ' 12' ' ' LEU . 33.1 t80 -63.5 -27.15 69.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.78 -46.13 90.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.51 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 64' ' ' LYS . 29.0 t -74.73 -41.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 43.52 111.101 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.811 HD22 HD12 ' A' ' 12' ' ' LEU . 5.7 mp -73.78 -8.23 55.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.93 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t -73.6 -16.0 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 41.1 110.854 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -134.31 129.71 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.862 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.7 -41.01 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.865 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.89 -49.83 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.136 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 58' ' ' VAL . 22.1 mtpt -63.92 -42.89 97.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.899 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -64.44 -46.79 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.833 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.23 110.897 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.798 0.332 . . . . 74.51 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.766 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.0 m-85 -59.97 -27.69 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.931 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -51.8 -43.14 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 73.13 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -74.88 -41.52 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' TYR . 60.4 mt -58.04 -22.51 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 60.32 111.13 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.796 HD13 HG23 ' A' ' 23' ' ' ILE . 12.4 mt -108.4 -16.41 14.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 54.33 110.918 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.19 24.75 63.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 72.04 112.509 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -110.51 152.57 43.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 65.3 111.132 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 54.1 Cg_endo -69.7 175.51 7.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.42 112.337 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -78.82 -8.81 59.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.846 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -114.33 5.52 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.15 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.23 159.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 63.53 111.064 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.7 m -107.49 163.24 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 54.53 110.863 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 23' ' ' ILE . 22.9 mm-40 -59.62 -27.53 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 71.51 110.859 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -78.1 -40.63 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 55.32 110.897 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.796 HG23 HD13 ' A' ' 12' ' ' LEU . 13.7 mt -64.84 -32.77 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.145 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -62.72 -40.3 96.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.908 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -70.24 -47.68 60.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.897 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.05 72.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 65.1 111.103 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -72.65 -34.76 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 52.52 110.912 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -74.98 -47.82 27.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.939 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -59.68 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.78 -41.35 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 63.23 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.484 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.46 -39.88 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 54.21 111.088 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -61.52 -22.26 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.877 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 74.33 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.484 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.4 t80 -61.11 -32.05 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.848 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 t -65.86 -33.22 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.92 -28.62 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.953 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 30' ' ' LEU . 16.4 mt -65.73 -48.26 72.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.04 110.934 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.0 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 41.42 111.118 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.28 -50.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.908 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.75 -39.36 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.063 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.763 ' HA ' HD11 ' A' ' 12' ' ' LEU . 34.8 t80 -62.89 -27.24 69.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.923 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.04 -45.03 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 75.42 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 64' ' ' LYS . 88.0 t -74.25 -43.23 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.41 111.18 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 12' ' ' LEU . 5.5 mp -73.24 -8.14 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 54.44 110.934 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -15.38 61.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.12 110.861 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -135.9 137.12 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 70.33 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -58.98 -42.85 90.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 t -57.77 -53.79 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.53 111.144 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB3' HG13 ' A' ' 58' ' ' VAL . 23.2 mtpt -62.57 -46.84 86.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.94 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -57.55 -48.02 80.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.857 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.916 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.786 0.327 . . . . 72.4 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.756 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.0 m-85 -61.96 -29.38 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.947 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -51.78 -44.88 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 65.44 110.92 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.11 -42.02 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 62.14 110.925 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 8' ' ' TYR . 56.2 mt -58.29 -22.47 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.109 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.932 HD13 HG23 ' A' ' 23' ' ' ILE . 12.8 mt -107.86 -17.17 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.877 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.13 60.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 51.35 112.481 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -112.33 152.86 44.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 72.11 111.126 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.6 Cg_endo -69.78 175.51 8.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 43.2 112.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -78.77 -8.78 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.884 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -113.11 3.94 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 159.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.4 111.148 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 169.65 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.894 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.587 ' HA ' HD12 ' A' ' 23' ' ' ILE . 15.7 mm-40 -63.96 -26.31 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 64.54 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -77.79 -42.56 33.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.94 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.6 -32.87 74.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.91 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.932 HG23 HD13 ' A' ' 12' ' ' LEU . 18.7 mt -67.16 -33.8 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 74.55 111.107 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -61.8 -40.44 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.43 110.884 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -72.03 -48.03 47.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.894 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.14 111.151 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -72.72 -34.73 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 70.4 110.961 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -75.23 -47.74 26.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -59.58 -34.37 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.87 -41.72 64.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.52 110.937 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.71 -39.23 76.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 62.43 111.094 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -61.97 -22.37 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.04 110.928 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 55.35 110.878 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 65.42 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.2 t80 -61.42 -33.11 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -64.32 -33.21 75.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.881 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 30' ' ' LEU . 20.5 mt -61.78 -51.73 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 62.3 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.59 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.114 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 64.15 110.854 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.756 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.78 -43.9 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 51.24 111.128 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.79 ' HA ' HD11 ' A' ' 12' ' ' LEU . 41.6 t80 -57.7 -28.74 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.55 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG13 ' HB3' ' A' ' 64' ' ' LYS . 48.4 t -74.45 -44.24 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.15 111.177 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.804 HD22 HD12 ' A' ' 12' ' ' LEU . 6.0 mp -73.17 -8.18 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t -73.58 -13.68 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.85 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.0 131.43 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 73.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.916 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.84 -52.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 71.04 111.154 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HB3' HG13 ' A' ' 58' ' ' VAL . 23.0 mtpt -61.79 -46.58 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.912 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -46.78 87.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.907 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 61.42 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.3 m-85 -53.32 -36.59 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 54.11 110.936 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -51.83 -48.01 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 61.11 110.936 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -73.13 -39.49 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 62.53 110.897 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.7 mt -59.7 -23.3 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.04 111.161 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.888 HD13 HG23 ' A' ' 23' ' ' ILE . 13.6 mt -108.07 -15.55 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.927 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 27.14 58.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 52.22 112.484 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.07 152.61 45.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.657 0.742 . . . . 63.51 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.78 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 71.51 112.33 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -78.76 -8.28 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.872 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -113.52 4.0 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 60.04 110.907 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 160.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 60.3 111.101 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -107.48 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.83 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 23' ' ' ILE . 13.7 mm-40 -61.96 -26.59 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 72.52 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -78.09 -42.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.78 -30.64 70.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.888 HG23 HD13 ' A' ' 12' ' ' LEU . 15.6 mt -70.21 -35.91 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 111.1 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -39.03 82.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 61.13 110.903 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -73.9 -47.93 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.26 -31.28 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 51.34 111.105 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.86 -34.83 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.37 -47.48 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 63.15 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.84 -41.53 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.7 -39.81 78.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 60.22 111.115 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -61.02 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 40.42 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.858 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 72.21 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.533 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 44.0 t80 -58.69 -32.82 69.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.824 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -65.92 -35.74 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -60.87 -33.12 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 30' ' ' LEU . 20.6 mt -60.75 -48.64 80.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 74.1 110.901 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.64 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 51.03 111.129 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.5 -50.13 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 65.21 110.855 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.38 -36.84 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 53.13 111.107 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.739 ' HA ' HD11 ' A' ' 12' ' ' LEU . 30.5 t80 -66.32 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.889 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -47.02 87.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 74.3 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 64' ' ' LYS . 38.2 t -74.81 -42.65 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.786 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -71.32 -9.82 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t -73.56 -12.82 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.87 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -138.0 129.18 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.42 110.907 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -54.44 -38.75 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.83 -50.41 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 64.1 111.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.0 mtpp -61.6 -42.85 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.889 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HA ' HG12 ' A' ' 58' ' ' VAL . 71.5 ttp85 -67.15 -47.35 71.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.856 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.786 0.327 . . . . 74.31 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.731 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.8 m-85 -61.3 -29.09 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.951 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -51.86 -44.95 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.905 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -73.96 -39.2 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 72.11 110.861 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.5 mt -60.51 -23.36 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.25 111.157 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.929 HD13 HG23 ' A' ' 23' ' ' ILE . 11.4 mt -106.97 -15.53 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 24.53 63.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 61.41 112.509 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 152.69 44.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.13 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.71 175.44 8.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 74.4 112.395 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -78.85 -8.4 58.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.89 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -113.39 3.88 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.868 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 159.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.092 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.45 166.87 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 54.11 110.841 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.674 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.4 mm100 -61.68 -26.28 67.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 71.11 110.954 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -78.07 -43.25 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.45 110.834 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.77 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 65.13 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.929 HG23 HD13 ' A' ' 12' ' ' LEU . 16.7 mt -66.21 -34.46 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.24 -40.44 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.91 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.07 -47.67 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.931 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 64.24 111.093 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -72.86 -34.82 66.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.912 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -75.4 -47.53 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 73.41 110.894 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.64 -34.15 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.958 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -73.13 -41.28 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.896 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.56 -42.0 82.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 32.11 111.103 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.31 -29.64 67.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 70.34 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 mttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.884 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 75.41 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 46.5 t80 -59.54 -31.97 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 71.04 110.832 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -69.64 -32.79 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.74 -32.36 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 30' ' ' LEU . 10.4 mt -63.02 -50.21 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 55.41 110.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.2 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.095 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -64.95 -50.29 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.58 -40.35 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 52.14 111.137 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.746 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.6 t80 -61.88 -26.89 68.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 71.42 110.898 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 64' ' ' LYS . 21.9 t -74.62 -43.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.21 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.723 HD22 HD12 ' A' ' 12' ' ' LEU . 2.9 mp -70.29 -10.55 59.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.928 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 -12.06 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.847 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.85 128.53 26.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.864 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.55 -41.25 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 44.14 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.67 -51.11 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.134 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.4 mtpp -61.74 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 51.44 110.916 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' HA ' HG12 ' A' ' 58' ' ' VAL . 59.7 ttp180 -64.81 -47.92 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.881 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 74.34 110.88 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.34 . . . . 71.43 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.6 m-85 -51.86 -33.78 37.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 70.03 110.926 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -51.66 -42.59 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.44 110.887 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.54 -35.67 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 60.44 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 8' ' ' TYR . 71.9 mt -64.86 -28.75 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.134 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.812 HD11 ' HA ' ' A' ' 56' ' ' TYR . 10.2 mt -99.84 -16.48 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.928 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.07 30.29 51.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 74.15 112.476 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.55 152.48 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.722 . . . . 74.34 111.106 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.662 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.78 175.65 7.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 75.34 112.33 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -78.93 -8.92 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.21 110.848 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -115.25 6.24 14.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.881 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -57.05 160.83 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.063 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -107.51 168.81 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.824 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 23' ' ' ILE . 7.5 mm100 -62.36 -26.41 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 65.04 110.899 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.46 -42.58 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.31 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.92 -28.52 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 61.41 110.851 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 20' ' ' GLN . 17.6 mt -71.66 -35.26 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.42 111.142 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -59.47 -41.31 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.91 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.73 -48.07 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.01 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.104 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -72.52 -34.75 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.966 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -75.06 -47.91 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 74.21 110.894 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.936 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.63 -41.33 65.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.917 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.64 -40.13 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 62.05 111.095 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.29 -23.46 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.24 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 mttp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.0 110.946 179.83 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 74.31 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.483 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 42.0 t80 -58.65 -34.07 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.892 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -64.82 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.879 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -60.79 -29.4 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 63.23 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 30' ' ' LEU . 15.9 mt -64.27 -50.46 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.916 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.105 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.43 -50.05 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 65.32 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -70.98 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 74.41 111.079 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.812 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.8 t80 -70.53 -27.07 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.917 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.1 -50.17 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.21 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.618 HG13 ' HB3' ' A' ' 64' ' ' LYS . 90.6 t -74.82 -42.66 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.127 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 8' ' ' TYR . 4.2 mm? -68.08 -12.11 60.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.886 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 t -73.62 -11.43 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.851 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.32 129.52 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.12 -42.15 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.93 -50.3 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.35 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HB3' HG13 ' A' ' 58' ' ' VAL . 13.0 mtpp -63.23 -47.19 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.905 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HA ' HG12 ' A' ' 58' ' ' VAL . 42.9 ttp180 -59.92 -41.59 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 53.24 110.889 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.911 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 74.41 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.666 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.5 m-85 -54.91 -30.98 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.861 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -51.86 -43.64 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 65.42 110.952 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -75.45 -38.04 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 8' ' ' TYR . 74.7 mt -60.87 -22.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.105 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.825 HD13 HG23 ' A' ' 23' ' ' ILE . 13.5 mt -107.95 -14.63 14.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.91 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 23.51 65.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 63.21 112.533 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.6 m -110.4 152.37 43.25 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 74.31 111.136 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.76 175.28 8.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 52.43 112.369 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.79 -8.56 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.893 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -113.89 4.7 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.898 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.46 159.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 55.32 111.089 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -107.57 163.68 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.41 110.817 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.684 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.7 mm100 -59.66 -26.69 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.897 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -78.1 -40.72 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.64 -36.05 78.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 54.14 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.825 HG23 HD13 ' A' ' 12' ' ' LEU . 19.4 mt -61.27 -32.75 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.151 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.37 -40.43 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.934 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -68.1 -48.04 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.12 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -72.54 -34.66 67.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.929 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.76 -47.83 28.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.04 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -59.78 -34.73 73.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD23 HD22 ' A' ' 52' ' ' LEU . 1.1 mp -72.8 -41.35 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 54.15 110.924 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.63 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.082 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -58.29 -22.2 51.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.928 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.904 179.864 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.865 0.364 . . . . 74.11 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -59.65 -32.0 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.7 t -58.63 -32.99 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 61.31 110.894 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -67.21 -27.6 67.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 30' ' ' LEU . 20.2 mt -70.58 -50.81 33.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.92 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.9 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 60.4 111.134 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.82 -50.2 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.46 -35.79 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 62.33 111.132 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.774 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.9 t80 -67.46 -27.0 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.3 110.873 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.13 -47.19 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.23 110.824 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 65' ' ' ARG . 59.7 t -74.92 -41.39 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.777 HD22 HD12 ' A' ' 12' ' ' LEU . 4.8 mp -73.0 -8.49 55.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.939 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 t -73.61 -15.91 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.35 110.846 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 73.32 110.865 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.29 -42.98 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.893 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -49.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 71.42 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -63.29 -45.77 89.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.03 110.895 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HA ' HG12 ' A' ' 58' ' ' VAL . 60.1 ttp180 -61.04 -48.59 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.53 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.779 0.323 . . . . 62.22 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.6 m-85 -51.81 -33.48 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.897 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -51.51 -46.3 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 72.42 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.49 -39.38 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.931 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 8' ' ' TYR . 69.4 mt -60.48 -32.46 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.125 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.788 HD11 ' HA ' ' A' ' 56' ' ' TYR . 8.4 mt -95.58 -15.81 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.914 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 26.51 59.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 40.34 112.491 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -114.12 152.63 46.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.647 0.737 . . . . 50.43 111.12 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.661 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.9 Cg_endo -69.7 175.31 8.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 74.05 112.37 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -78.93 -8.35 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 61.54 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -115.03 5.65 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 53.33 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.661 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -58.34 160.34 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.43 111.121 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -107.52 173.18 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.42 110.876 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.676 ' HA ' HD12 ' A' ' 23' ' ' ILE . 34.6 mm-40 -65.51 -26.37 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.906 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.77 -40.79 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.55 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -32.83 74.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 20' ' ' GLN . 21.7 mt -66.8 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 72.15 111.119 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.69 -40.98 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.889 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -73.1 -47.94 40.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.886 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.85 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.11 111.103 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.4 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 71.01 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -74.55 -48.01 29.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.971 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -59.9 -34.34 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 55.1 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.1 mp -72.79 -41.56 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 62.31 110.902 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.55 -43.2 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.55 111.12 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -57.37 -23.51 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.894 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 72.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.19 -33.49 75.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.908 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 t -59.12 -35.2 73.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.904 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.75 -27.11 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 30' ' ' LEU . 41.2 mt -65.66 -51.22 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 65.43 110.921 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.77 82.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 44.52 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -60.75 -49.97 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 54.43 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.03 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.04 111.146 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.788 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.9 t80 -70.77 -26.75 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.923 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.09 -50.07 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 74.3 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.701 HG13 ' HB3' ' A' ' 64' ' ' LYS . 22.0 t -74.86 -41.9 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.05 111.12 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD13 ' HG3' ' A' ' 65' ' ' ARG . 4.2 mm? -69.26 -11.2 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -73.64 -13.55 61.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.53 110.889 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.72 139.96 40.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 31.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.97 -37.16 85.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.6 -49.5 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.701 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.8 mtpp -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.89 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.498 ' HG3' HD13 ' A' ' 59' ' ' LEU . 3.7 ttt180 -63.79 -41.52 97.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.903 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 75.44 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 17.3 m-85 -66.87 -27.2 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.916 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -51.84 -46.25 64.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.507 . . . . 75.34 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -74.21 -38.14 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.04 110.907 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' TYR . 71.6 mt -60.96 -20.73 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.815 HD13 HG23 ' A' ' 23' ' ' ILE . 10.2 mt -110.7 -14.48 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.893 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.46 65.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 73.1 112.493 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -110.85 152.56 43.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 75.12 111.107 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.78 174.88 8.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 74.43 112.348 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -78.05 -8.83 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.89 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -114.5 5.6 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 64.52 110.884 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.594 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.41 158.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.067 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.5 160.64 15.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.841 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 35.6 mm-40 -55.65 -26.3 43.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.902 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.87 -49.18 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -61.52 -36.65 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.84 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.815 HG23 HD13 ' A' ' 12' ' ' LEU . 19.0 mt -59.56 -32.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.15 111.15 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.866 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.44 -47.73 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 72.51 110.899 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 12' ' ' LEU . . . -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 62.24 111.12 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -72.9 -34.8 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.935 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -75.55 -47.47 26.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.925 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -59.53 -34.38 72.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 52' ' ' LEU . 1.3 mp -73.2 -41.46 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.61 -38.72 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 62.54 111.048 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -62.89 -23.18 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 70.52 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.897 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 73.24 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.46 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 40.7 t80 -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -65.75 -33.71 76.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.861 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -61.98 -34.25 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.35 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 30' ' ' LEU . 16.9 mt -59.99 -47.92 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.893 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.26 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.122 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.5 -50.18 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 60.13 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.615 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.47 -34.21 69.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 64.23 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.754 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.5 t80 -72.54 -26.83 61.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.21 110.937 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.72 -50.02 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.885 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG13 ' HB3' ' A' ' 64' ' ' LYS . 24.4 t -74.85 -38.62 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.53 111.121 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.773 HD22 HD12 ' A' ' 12' ' ' LEU . 5.3 mp -73.79 -7.66 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 55.23 110.934 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 t -73.62 -17.78 61.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.64 139.84 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.891 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -61.81 -41.86 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.884 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.57 -54.01 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 73.34 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HB3' HG13 ' A' ' 58' ' ' VAL . 53.0 mtmt -63.65 -47.08 82.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.876 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -57.3 -41.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 72.02 110.881 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.902 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.859 0.361 . . . . 70.43 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.688 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.6 m-85 -56.37 -31.89 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.91 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -52.0 -44.01 63.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.918 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -75.25 -37.72 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 65.44 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 8' ' ' TYR . 75.4 mt -61.38 -24.36 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 72.43 111.105 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.901 HD13 HG23 ' A' ' 23' ' ' ILE . 12.8 mt -105.98 -14.42 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 63.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.42 65.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.488 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -110.65 152.55 43.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 75.44 111.149 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 54.3 Cg_endo -69.69 175.23 8.32 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 71.43 112.4 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -78.55 -8.67 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 71.21 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.5 5.52 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 71.12 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.3 160.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 45.24 111.086 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 m -107.47 162.08 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 53.11 110.878 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.5 mm100 -57.18 -26.3 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.943 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -47.62 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.894 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.65 -29.03 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.05 110.857 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.901 HG23 HD13 ' A' ' 12' ' ' LEU . 16.7 mt -70.72 -36.19 63.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -60.59 -40.2 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.51 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -72.49 -48.04 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.08 -31.19 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 64.14 111.079 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.86 -34.76 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 63.54 110.919 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -75.4 -47.5 27.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 62.34 110.918 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -59.59 -34.41 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.874 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.97 -41.49 64.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.91 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.515 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.63 -40.54 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.115 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.16 -24.51 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.869 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 72.21 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.3 t80 -58.73 -36.39 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 63.32 110.85 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -62.5 -34.43 76.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.85 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -61.51 -32.9 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.01 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 30' ' ' LEU . 19.4 mt -60.92 -49.61 76.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.87 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.6 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 55.32 111.124 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.51 -50.01 71.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 63.41 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.2 -36.98 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 65.44 111.07 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.4 t80 -68.32 -26.58 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.905 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -49.92 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.86 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 64' ' ' LYS . 22.1 t -74.62 -39.28 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 111.123 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.765 HD22 HD12 ' A' ' 12' ' ' LEU . 5.1 mp -72.99 -7.8 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -73.37 -16.68 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 62.02 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -134.17 137.7 44.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 70.32 110.859 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.79 -42.93 94.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 53.54 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.2 t -57.8 -54.02 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 72.2 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.664 ' HB3' HG13 ' A' ' 58' ' ' VAL . 50.9 mtmt -64.06 -46.88 82.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -57.32 -41.1 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.893 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 70.44 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.729 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.2 m-85 -65.06 -26.99 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 74.22 110.892 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -51.91 -45.38 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 63.04 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -73.2 -41.17 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 65.33 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 8' ' ' TYR . 63.9 mt -57.89 -22.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 64.5 111.145 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.897 HD13 HG23 ' A' ' 23' ' ' ILE . 12.4 mt -108.73 -16.25 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.94 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.28 24.79 62.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 62.04 112.501 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.53 152.79 43.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 70.24 111.118 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.74 175.55 7.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 74.12 112.351 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -78.86 -8.66 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -112.72 3.53 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.39 159.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.098 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -107.47 170.33 8.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 52.24 110.87 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.589 ' HA ' HD12 ' A' ' 23' ' ' ILE . 18.7 mm-40 -64.57 -26.39 68.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 70.43 110.893 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.64 -40.33 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -68.8 -34.98 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.888 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.897 HG23 HD13 ' A' ' 12' ' ' LEU . 16.9 mt -65.33 -34.96 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.31 111.131 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -60.99 -40.49 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.917 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -72.03 -48.08 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 73.14 110.914 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -72.7 -34.8 67.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.958 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -75.49 -47.65 26.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 72.31 110.91 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -59.49 -33.99 72.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.931 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 52' ' ' LEU . 1.5 mp -73.28 -41.69 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.93 -32.58 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.03 111.095 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.07 -17.6 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 53.54 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.54 110.867 179.888 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 61.15 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 38.1 t80 -65.36 -37.22 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.89 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -62.16 -32.94 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.81 -26.91 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 62.55 110.888 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 30' ' ' LEU . 23.9 mt -68.12 -48.02 66.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.918 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.07 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.102 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -64.65 -50.31 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 70.21 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.63 -41.81 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 61.14 111.111 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.773 ' HA ' HD11 ' A' ' 12' ' ' LEU . 34.3 t80 -60.24 -27.03 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 72.11 110.882 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.46 -44.24 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 71.13 111.146 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -72.7 -8.46 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 64.22 110.937 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 t -73.65 -13.74 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.841 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.79 129.72 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -53.51 -42.29 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.872 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.4 -53.07 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 50.22 111.098 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.22 -44.6 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -45.62 94.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 70.02 110.907 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.875 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.837 0.351 . . . . 50.32 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.688 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 9.9 m-85 -58.06 -27.37 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.93 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -54.89 -47.7 73.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.34 -31.88 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 62.23 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 78.4 mt -65.69 -23.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.148 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 59' ' ' LEU . 13.0 mt -111.0 -15.68 13.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 61.24 110.93 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.15 39.6 22.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 63.02 112.495 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.22 152.49 67.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 65.43 111.124 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.74 174.26 9.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 61.32 112.343 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -78.73 -7.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 65.02 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -115.27 5.91 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 65.45 110.88 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.3 159.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.04 111.088 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -107.5 157.31 18.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.854 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -54.71 -27.15 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 72.25 110.894 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -78.05 -40.92 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.39 -36.43 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.835 HD13 ' HB3' ' A' ' 59' ' ' LEU . 83.1 mt -63.77 -32.83 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 71.44 111.165 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -63.14 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 72.4 110.945 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -69.85 -47.02 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.89 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.01 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.45 111.142 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.56 -34.77 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.955 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -74.92 -47.79 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 64.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.62 -41.46 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.939 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -39.55 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 54.04 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.12 -21.06 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 54.14 110.884 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 75.31 110.884 179.854 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.333 . . . . 72.31 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.6 t80 -59.14 -32.01 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.855 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -65.84 -34.27 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.858 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -62.15 -33.36 74.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 73.51 110.928 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 30' ' ' LEU . 15.2 mt -60.16 -45.74 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 55.53 110.898 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.5 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.128 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.45 -50.48 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.82 -38.96 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.15 111.125 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.692 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.4 t80 -63.21 -26.9 69.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.926 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.59 -46.27 90.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 65' ' ' ARG . 67.6 t -74.83 -41.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.02 111.151 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 12' ' ' LEU . 29.5 mt -74.21 -7.69 53.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 70.22 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 t -74.37 -15.61 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.808 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 134.49 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.03 -39.01 80.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.88 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.67 -53.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 44.34 111.162 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HA ' HG12 ' A' ' 58' ' ' VAL . 14.7 ttt-85 -64.23 -45.7 87.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 70.55 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.875 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.854 0.359 . . . . 71.51 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.681 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.3 m-85 -59.8 -28.07 67.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.893 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -51.93 -45.27 64.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 75.34 110.92 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -72.86 -41.77 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 8' ' ' TYR . 63.7 mt -57.75 -22.92 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.098 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.879 HD13 HG23 ' A' ' 23' ' ' ILE . 11.5 mt -107.77 -15.94 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 71.45 110.901 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.71 65.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.458 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.9 152.75 43.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 44.4 111.151 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.81 175.46 8.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 71.42 112.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -78.87 -8.59 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -111.73 2.52 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.855 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.36 158.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 23.3 111.089 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -107.53 170.58 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.869 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.622 ' HA ' HD12 ' A' ' 23' ' ' ILE . 20.8 mm-40 -63.95 -26.34 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -76.43 -43.91 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 64.44 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.847 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.879 HG23 HD13 ' A' ' 12' ' ' LEU . 17.9 mt -59.59 -34.5 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 70.43 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -61.66 -40.28 94.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 61.41 110.915 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -71.71 -48.07 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.15 110.89 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 53.13 111.119 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.22 110.94 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.52 -47.4 27.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 75.11 110.922 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.59 -33.61 71.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 71.3 110.833 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' ' 52' ' ' LEU . 2.0 mp -74.92 -41.61 59.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.927 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.75 -32.58 67.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.1 111.103 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -73.38 -26.94 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.84 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.893 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.844 0.354 . . . . 40.42 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -64.96 -40.82 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.909 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -60.28 -33.32 72.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.73 -27.49 67.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' LEU . 13.6 mt -66.82 -48.31 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 60.42 110.93 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.78 70.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.52 111.132 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -67.36 -50.24 60.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 22.4 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.59 -37.87 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 65.22 111.08 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.766 ' HA ' HD11 ' A' ' 12' ' ' LEU . 33.9 t80 -64.81 -27.05 68.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.898 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 64' ' ' LYS . 33.7 t -74.56 -43.73 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.178 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.712 HD22 HD12 ' A' ' 12' ' ' LEU . 4.8 mp -72.98 -8.4 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.898 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.56 -14.35 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.886 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -138.37 132.56 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.877 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.57 -41.8 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.888 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.52 -53.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 52.41 111.144 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HB3' HG13 ' A' ' 58' ' ' VAL . 21.4 mtpt -62.35 -45.83 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 44.42 110.907 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -59.05 -45.76 89.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.843 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.947 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 70.04 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.719 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 9.4 m-85 -58.17 -32.37 68.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 73.35 110.942 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -52.22 -46.37 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.04 110.927 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -73.21 -39.93 65.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 71.3 110.879 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.2 mt -59.56 -24.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.172 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.909 HD13 HG23 ' A' ' 23' ' ' ILE . 12.6 mt -105.58 -14.88 15.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.867 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.73 65.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 64.11 112.505 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -111.44 152.87 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 73.22 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.566 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.81 175.32 8.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.257 . . . . 63.45 112.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -78.8 -8.38 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.3 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -113.59 4.16 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.52 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.33 159.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 p -107.48 168.63 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 23' ' ' ILE . 13.4 mm-40 -63.37 -26.33 68.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.898 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -40.51 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.05 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.62 -35.39 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 75.11 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.909 HG23 HD13 ' A' ' 12' ' ' LEU . 15.6 mt -63.3 -34.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 45.15 111.079 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -63.08 -39.35 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 51.32 110.882 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -68.92 -48.02 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.939 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.92 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.22 111.086 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -71.86 -34.52 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -73.65 -48.15 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 72.5 110.914 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.83 -33.87 73.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.525 HD23 HD22 ' A' ' 52' ' ' LEU . 1.2 mp -73.04 -41.78 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 64.22 110.942 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.81 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.11 111.076 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 72.5 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.41 -32.34 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 70.45 110.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -59.75 -32.75 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.858 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.98 -29.0 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 64.54 110.86 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD22 HD23 ' A' ' 30' ' ' LEU . 14.2 mt -70.01 -52.13 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 52.04 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.073 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.28 -49.93 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.865 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.719 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.41 -36.49 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.08 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.752 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.8 t80 -68.19 -27.01 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 74.11 110.924 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.41 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 62.42 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 65' ' ' ARG . 44.6 t -74.72 -42.58 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 31.42 111.131 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 12' ' ' LEU . 3.9 mp -69.65 -11.0 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.92 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 t -73.57 -11.99 60.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 64.03 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -136.84 128.42 28.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 73.01 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -55.46 -43.17 75.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.893 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.16 -48.33 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 70.54 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -62.28 -47.41 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.849 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.575 ' HA ' HG12 ' A' ' 58' ' ' VAL . 32.7 ttp180 -59.74 -47.86 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.836 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.21 110.912 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.327 . . . . 71.12 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.687 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.4 m-85 -57.22 -25.94 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.918 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -56.56 -47.82 78.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.15 110.94 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.56 -30.06 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 64.53 110.927 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 8' ' ' TYR . 79.5 mt -66.8 -23.01 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 62.14 111.135 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 59' ' ' LEU . 13.6 mt -111.31 -15.0 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 63.01 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 40.78 18.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 65.52 112.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 m -126.03 152.62 73.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 60.43 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.0 Cg_endo -69.86 174.88 8.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.24 . . . . 73.33 112.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -78.83 -8.03 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.898 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -114.8 5.2 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.53 110.874 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.564 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.43 159.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.2 111.1 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p -107.51 158.0 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -52.98 -28.44 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -75.25 -49.87 17.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.885 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.52 -33.83 74.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.817 HD13 ' HB3' ' A' ' 59' ' ' LEU . 86.1 mt -67.8 -32.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 72.32 111.168 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -63.67 -38.69 92.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.879 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.85 -46.89 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.9 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.55 111.136 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.72 -34.76 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.911 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.08 -47.74 27.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.7 -34.15 72.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 74.14 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.94 -40.89 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.31 -45.42 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.21 111.114 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -56.84 -24.76 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 62.0 110.931 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.833 0.349 . . . . 71.25 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.7 t80 -59.15 -32.12 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -65.8 -33.38 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -62.39 -33.74 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 63.4 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' LEU . 13.2 mt -60.36 -47.88 84.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 51.24 110.908 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.74 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 51.52 111.107 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.39 -50.38 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.687 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.88 -39.36 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 42.43 111.137 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.702 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.4 t80 -62.68 -26.86 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.938 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.46 -46.66 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 65.3 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 65' ' ' ARG . 28.0 t -75.0 -40.73 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.24 111.149 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 12' ' ' LEU . 30.0 mt -74.27 -7.89 54.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.91 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 t -73.74 -17.01 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 130.22 28.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 55.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.41 -38.71 71.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.42 -51.1 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.113 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -63.01 -45.05 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 63.32 110.92 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HA ' HG12 ' A' ' 58' ' ' VAL . 43.9 ttp180 -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.912 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.895 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 61.34 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.699 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.2 m-85 -57.05 -25.76 59.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.927 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -56.76 -48.17 78.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 62.33 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.82 -31.15 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 74.02 110.886 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 8' ' ' TYR . 75.2 mt -65.38 -22.94 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 73.44 111.119 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.997 HD12 HD12 ' A' ' 59' ' ' LEU . 14.7 mt -111.49 -15.08 13.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.937 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.26 40.93 18.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 54.51 112.501 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.14 152.43 73.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 72.31 111.168 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.9 Cg_endo -69.71 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 65.12 112.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -78.82 -8.01 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.872 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -115.21 6.18 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.542 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.22 161.34 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.54 111.089 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -107.62 155.29 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 60.44 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -53.02 -28.65 25.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -77.96 -40.85 38.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -69.6 -30.14 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.837 HD13 ' HB3' ' A' ' 59' ' ' LEU . 88.7 mt -71.25 -32.67 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.33 111.099 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -62.86 -39.95 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.885 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -70.09 -45.09 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.927 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.0 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 62.01 111.105 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -72.82 -34.68 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.943 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -75.24 -47.61 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 65.4 110.926 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -59.62 -34.58 72.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.86 -41.37 64.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.458 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -39.42 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.08 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.93 -20.24 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 63.34 110.916 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.871 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.857 0.361 . . . . 73.45 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.458 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.3 t80 -59.45 -32.56 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 62.52 110.907 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -64.79 -32.85 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.862 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.7 -32.93 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 61.24 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 30' ' ' LEU . 18.4 mt -60.06 -46.28 90.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.872 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.93 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 41.25 111.079 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.97 -50.31 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.911 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.85 -39.73 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 60.1 111.091 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.69 ' HA ' HD11 ' A' ' 12' ' ' LEU . 24.2 t80 -62.4 -27.02 68.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.927 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.62 -46.69 88.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 55.32 110.917 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 65' ' ' ARG . 59.2 t -74.84 -40.79 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 71.22 111.111 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.997 HD12 HD12 ' A' ' 12' ' ' LEU . 28.8 mt -74.22 -7.88 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.44 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -15.35 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 53.13 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.96 138.06 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.915 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.32 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.854 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.09 -50.24 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -62.74 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.44 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 58' ' ' VAL . 29.8 ttp180 -65.76 -48.27 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 70.11 110.886 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.361 . . . . 64.42 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.717 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.6 m-85 -55.62 -29.43 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.931 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -52.52 -48.83 65.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 61.24 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -73.83 -32.09 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 8' ' ' TYR . 74.4 mt -63.73 -23.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.085 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.986 HD12 HD12 ' A' ' 59' ' ' LEU . 16.6 mt -111.47 -14.47 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 63.4 110.932 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.31 39.92 21.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 40.54 112.454 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.74 152.41 69.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 54.34 111.136 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.0 Cg_endo -69.75 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 73.54 112.326 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -78.89 -7.28 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 71.03 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -111.42 1.66 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.38 158.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 55.3 111.124 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -107.48 159.7 16.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 42.54 110.846 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -54.2 -27.29 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.05 110.869 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -49.84 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 71.42 110.928 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.76 -35.92 79.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.875 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.847 HD13 ' HB3' ' A' ' 59' ' ' LEU . 88.8 mt -65.53 -32.86 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 62.24 111.125 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.98 -40.26 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.881 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.25 -47.61 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 70.53 110.866 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.74 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 61.23 111.109 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -72.51 -34.82 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 62.34 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -74.81 -47.81 28.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.973 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.61 -34.82 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 72.43 110.956 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -72.88 -41.42 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 71.34 110.93 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.05 82.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.065 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -57.3 -23.4 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 71.42 110.922 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.14 110.89 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 74.03 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -58.77 -33.61 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -59.06 -32.83 70.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 70.11 110.874 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -65.09 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.68 HD22 HD23 ' A' ' 30' ' ' LEU . 15.3 mt -65.36 -53.07 48.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.79 -50.23 74.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.902 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.717 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.59 -42.91 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.12 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.579 ' HA ' HD11 ' A' ' 12' ' ' LEU . 18.3 t80 -59.3 -26.91 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.94 -48.7 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.905 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 65' ' ' ARG . 22.4 t -74.89 -39.23 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.095 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.986 HD12 HD12 ' A' ' 12' ' ' LEU . 34.9 mt -74.31 -7.88 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.936 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -75.12 -16.15 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.05 132.21 31.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.05 -43.89 78.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.76 -50.8 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.133 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -62.54 -46.55 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.41 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.652 ' HA ' HG12 ' A' ' 58' ' ' VAL . 31.9 ttp180 -60.57 -43.76 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.861 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.941 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 64.41 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.726 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 16.1 m-85 -60.12 -25.3 65.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.936 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -51.86 -49.01 63.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -70.09 -41.53 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.7 mt -58.23 -22.72 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.132 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.935 HD13 HG23 ' A' ' 23' ' ' ILE . 8.8 mt -107.66 -15.45 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.922 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.61 65.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 52.23 112.486 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.79 152.52 43.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 50.22 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.571 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.81 175.74 7.74 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 71.01 112.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mmm-85 -78.78 -8.85 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 51.41 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -111.81 2.4 17.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.55 156.78 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 52.22 111.117 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -107.47 168.9 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.871 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.685 ' HA ' HD12 ' A' ' 23' ' ' ILE . 17.6 mm-40 -60.57 -26.34 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.926 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -75.52 -47.27 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.922 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.03 -38.83 92.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 64.35 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.935 HG23 HD13 ' A' ' 12' ' ' LEU . 17.7 mt -59.33 -35.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.33 111.153 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.917 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -72.33 -47.88 46.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.883 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 63.34 111.09 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.68 -34.67 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 71.45 110.919 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -75.41 -47.73 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -59.59 -34.16 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.95 -41.73 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.943 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.72 -38.93 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 63.31 111.078 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -62.46 -23.06 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.874 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 51.43 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.445 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.9 t80 -59.18 -33.92 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.907 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -64.02 -33.64 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.53 110.872 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.65 -30.56 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 52.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 30' ' ' LEU . 17.3 mt -63.37 -52.8 60.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.901 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 35.2 111.1 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.96 -50.18 69.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.726 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.47 -39.49 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 63.34 111.115 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.729 ' HA ' HD11 ' A' ' 12' ' ' LEU . 23.1 t80 -66.93 -26.92 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 65.34 110.893 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.66 -49.98 75.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.22 110.826 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.691 HG13 ' HB3' ' A' ' 64' ' ' LYS . 77.3 t -74.15 -38.9 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 63.34 111.107 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 12' ' ' LEU . 3.9 mp -73.49 -7.5 52.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 54.35 110.89 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -73.75 -17.13 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -131.77 141.44 49.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 52.42 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.2 -38.74 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 63.1 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.88 -54.06 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 51.53 111.13 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.691 ' HB3' HG13 ' A' ' 58' ' ' VAL . 30.2 mtmm -62.87 -46.71 86.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -56.91 -41.95 79.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.85 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 74.42 110.89 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 60.12 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.9 m-85 -51.89 -35.45 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.908 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -51.24 -48.52 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.957 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.9 -40.39 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.5 110.924 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.2 mt -59.14 -33.29 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.146 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.821 HD11 ' HA ' ' A' ' 56' ' ' TYR . 8.0 mt -94.38 -15.56 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.15 62.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 73.33 112.519 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.07 152.7 44.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 72.13 111.183 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.663 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.77 175.63 7.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 70.51 112.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -9.11 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.55 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -115.16 6.72 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 65.33 110.9 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -57.98 160.79 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 52.43 111.09 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.63 171.62 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.636 ' HA ' HD12 ' A' ' 23' ' ' ILE . 37.2 mm-40 -64.34 -26.32 68.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.21 -41.25 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 61.34 110.874 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -66.66 -28.76 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 20' ' ' GLN . 23.1 mt -72.26 -34.37 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.46 -41.22 93.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.87 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -74.05 -48.0 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.79 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.119 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.23 -34.68 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.41 -48.26 28.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 72.43 110.874 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.79 -34.48 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 71.34 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.86 -41.76 64.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.917 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.97 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.21 111.107 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -57.94 -22.5 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 71.13 110.925 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.875 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.807 0.336 . . . . 74.1 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.29 -32.86 74.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.7 t -58.49 -36.06 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 30.23 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -64.71 -27.4 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 30' ' ' LEU . 38.8 mt -66.22 -52.86 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 61.23 110.916 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.53 85.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.109 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.95 -47.9 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.894 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.19 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.821 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.9 t80 -71.8 -26.79 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.88 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.47 -49.85 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 64' ' ' LYS . 21.9 t -74.69 -42.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.134 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.509 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.2 mm? -68.26 -11.81 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.874 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 t -73.73 -12.92 60.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 62.41 110.854 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -137.23 137.16 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.18 -40.46 97.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 62.04 110.904 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.28 -49.98 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HB3' HG13 ' A' ' 58' ' ' VAL . 12.1 mtpp -63.53 -44.12 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 72.04 110.865 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HA ' HG12 ' A' ' 58' ' ' VAL . 2.8 ttt180 -63.89 -41.27 97.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.859 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.869 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 64.21 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 11' ' ' ILE . 17.6 m-85 -61.81 -32.22 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.956 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -51.83 -40.82 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -75.48 -40.79 56.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 8' ' ' TYR . 57.2 mt -59.39 -21.85 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 42.12 111.159 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.793 HD13 HG23 ' A' ' 23' ' ' ILE . 16.2 mt -108.1 -16.77 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.53 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 25.43 61.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 65.54 112.491 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 m -110.93 152.58 43.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 63.14 111.108 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.5 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 63.23 112.314 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -8.65 58.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.922 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -113.68 4.83 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.541 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.32 160.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 51.11 111.075 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -107.52 159.74 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.806 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.783 ' HA ' HD12 ' A' ' 23' ' ' ILE . 17.9 mm-40 -56.13 -27.56 54.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 74.14 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -78.06 -46.49 20.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.17 -30.22 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 63.42 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 12' ' ' LEU . 16.8 mt -67.03 -32.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 65.21 111.108 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -61.98 -40.72 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.861 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -67.87 -48.14 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 75.13 110.9 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.9 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 53.31 111.122 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.84 -34.98 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 42.33 110.915 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -76.96 -47.4 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.952 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 52' ' ' LEU . 1.6 mp -75.56 -40.98 55.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 62.01 110.901 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -41.54 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.062 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -61.18 -20.12 62.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 61.12 110.9 179.833 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.791 0.329 . . . . 43.34 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 42.1 t80 -58.79 -38.86 79.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -60.86 -35.05 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.35 110.842 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.21 -29.18 69.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.956 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.538 ' CD2' HD23 ' A' ' 30' ' ' LEU . 17.2 mt -64.88 -48.51 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.884 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.07 -33.3 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.141 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.37 -50.22 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.57 -40.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.147 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.765 ' HA ' HD11 ' A' ' 12' ' ' LEU . 38.4 t80 -61.54 -28.27 69.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.943 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.66 -45.55 93.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 73.02 110.891 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG13 ' HB3' ' A' ' 64' ' ' LYS . 89.0 t -74.89 -42.22 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.108 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.757 HD22 HD12 ' A' ' 12' ' ' LEU . 3.6 mp -73.51 -8.11 54.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 70.12 110.947 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -73.53 -15.51 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.1 110.827 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.34 134.14 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.05 -42.43 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.873 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.22 -51.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HB3' HG13 ' A' ' 58' ' ' VAL . 24.4 mtpt -62.33 -46.67 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.925 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.36 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 63.42 110.909 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.758 0.314 . . . . 72.12 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 21.2 ptm -94.01 169.38 10.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.889 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.41 155.86 26.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.76 160.92 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.33 111.119 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -103.64 81.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -88.91 169.66 11.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 41.3 110.913 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -109.55 164.95 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 71.04 110.883 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.749 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 14.4 m-85 -60.17 -29.83 68.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.944 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.66 -42.15 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 75.31 110.91 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -75.57 -40.74 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.911 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.0 mt -58.98 -22.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.124 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.819 HD13 HG23 ' A' ' 23' ' ' ILE . 13.0 mt -107.77 -16.5 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.937 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 25.5 61.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 72.41 112.451 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -111.36 152.59 43.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 55.23 111.131 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.597 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.81 175.7 7.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 41.12 112.364 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -78.82 -8.92 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -114.7 5.75 15.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.934 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.597 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.31 160.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 71.44 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -107.5 161.56 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 33.33 110.875 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' A' ' 23' ' ' ILE . 16.9 mm-40 -57.43 -27.05 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 62.11 110.895 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -78.09 -45.85 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.869 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.78 -29.84 71.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.819 HG23 HD13 ' A' ' 12' ' ' LEU . 16.5 mt -68.9 -32.75 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.41 111.128 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -70.97 -46.61 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.91 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.16 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 75.54 111.115 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -72.72 -34.84 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 72.02 110.913 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -75.35 -47.68 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -59.61 -34.09 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.899 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.9 -41.26 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.933 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.57 -39.75 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.108 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.94 -24.48 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -77.93 -35.85 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.502 ' CD2' HD11 ' A' ' 52' ' ' LEU . 90.3 m-85 -103.37 24.66 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.916 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 160.46 73.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.581 0.705 . . . . 74.2 110.867 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.234 . . . . 74.42 112.385 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.26 -22.74 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -105.63 3.6 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.214 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.546 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -81.35 -0.76 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 64.4 110.88 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -40.35 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.92 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.5 17.73 13.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 52.11 110.863 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -148.56 80.88 8.13 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.634 0.73 . . . . 72.53 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 62.34 112.35 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -95.51 -18.71 20.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.872 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.26 -34.01 66.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.4 111.109 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -57.21 -41.73 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.877 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.32 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -71.13 -35.01 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.918 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.422 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 45.1 t80 -58.71 -31.95 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.02 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 t -70.21 -33.76 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.842 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.15 -29.65 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 34' ' ' TYR . 12.1 mt -64.89 -47.44 77.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.89 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.99 71.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.117 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.14 -50.31 64.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 54.11 110.905 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.749 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.67 -38.8 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 51.24 111.123 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.77 ' HA ' HD11 ' A' ' 12' ' ' LEU . 33.1 t80 -63.5 -27.15 69.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.78 -46.13 90.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.51 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 64' ' ' LYS . 29.0 t -74.73 -41.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 43.52 111.101 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.811 HD22 HD12 ' A' ' 12' ' ' LEU . 5.7 mp -73.78 -8.23 55.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.93 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t -73.6 -16.0 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 41.1 110.854 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -134.31 129.71 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.862 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.7 -41.01 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.865 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.89 -49.83 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.136 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 58' ' ' VAL . 22.1 mtpt -63.92 -42.89 97.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.899 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -64.44 -46.79 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.833 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -65.81 -44.89 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.23 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -58.97 -41.51 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.92 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.898 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.14 -28.56 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.868 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.107 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.06 26.16 6.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.928 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.52 174.03 30.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 63.41 112.493 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 55.01 110.843 -179.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 44.8 m80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 73.13 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -102.16 117.7 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.865 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 116.68 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 161.21 27.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 64.32 111.132 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -52.66 163.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -114.23 133.61 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 63.2 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.76 150.13 26.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.51 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.766 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.0 m-85 -59.97 -27.69 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.931 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -51.8 -43.14 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 73.13 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -74.88 -41.52 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' TYR . 60.4 mt -58.04 -22.51 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 60.32 111.13 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.796 HD13 HG23 ' A' ' 23' ' ' ILE . 12.4 mt -108.4 -16.41 14.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 54.33 110.918 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.19 24.75 63.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 72.04 112.509 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -110.51 152.57 43.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 65.3 111.132 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 54.1 Cg_endo -69.7 175.51 7.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.42 112.337 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -78.82 -8.81 59.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.846 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -114.33 5.52 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.15 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.23 159.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 63.53 111.064 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.7 m -107.49 163.24 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 54.53 110.863 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 23' ' ' ILE . 22.9 mm-40 -59.62 -27.53 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 71.51 110.859 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -78.1 -40.63 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 55.32 110.897 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.796 HG23 HD13 ' A' ' 12' ' ' LEU . 13.7 mt -64.84 -32.77 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.145 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -62.72 -40.3 96.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.908 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -70.24 -47.68 60.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.897 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.05 72.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 65.1 111.103 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -72.65 -34.76 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 52.52 110.912 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -74.98 -47.82 27.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.939 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -59.68 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.78 -41.35 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 63.23 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.484 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.46 -39.88 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 54.21 111.088 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -61.52 -22.26 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -79.07 -35.8 41.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.877 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' HD11 ' A' ' 52' ' ' LEU . 79.6 m-85 -105.97 24.51 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 65.32 110.94 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 160.5 56.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 62.35 110.843 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.14 32.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.643 2.229 . . . . 63.24 112.374 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD1' HG23 ' A' ' 38' ' ' THR . 1.2 p-10 -77.92 -22.34 49.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 63.41 110.879 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.51 HG23 ' OD1' ' A' ' 37' ' ' ASP . 16.9 p -104.55 1.92 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 64.04 111.111 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.535 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -79.92 -2.48 43.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 60.1 110.906 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -40.42 60.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.47 17.87 13.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.21 80.89 8.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 72.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -7.67 21.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.721 2.281 . . . . 64.42 112.324 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -95.54 -18.37 20.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.869 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.535 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.26 -35.08 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.093 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.43 -40.4 78.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.832 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.15 -40.13 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 71.4 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.64 -34.36 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.484 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.4 t80 -61.11 -32.05 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.848 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 t -65.86 -33.22 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.92 -28.62 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.953 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 34' ' ' TYR . 16.4 mt -65.73 -48.26 72.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.04 110.934 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.0 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 41.42 111.118 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.28 -50.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.908 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.75 -39.36 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.063 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.763 ' HA ' HD11 ' A' ' 12' ' ' LEU . 34.8 t80 -62.89 -27.24 69.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.923 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.04 -45.03 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 75.42 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 64' ' ' LYS . 88.0 t -74.25 -43.23 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.41 111.18 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 12' ' ' LEU . 5.5 mp -73.24 -8.14 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 54.44 110.934 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -15.38 61.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.12 110.861 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -135.9 137.12 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 70.33 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -58.98 -42.85 90.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 t -57.77 -53.79 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.53 111.144 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB3' HG13 ' A' ' 58' ' ' VAL . 23.2 mtpt -62.57 -46.84 86.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.94 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -57.55 -48.02 80.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.857 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -65.29 -43.64 90.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.916 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -58.92 -35.19 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.955 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -73.02 -37.97 66.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.05 110.948 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 -30.02 70.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 73.31 110.846 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.42 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.131 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -107.19 26.26 10.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.905 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.32 -175.52 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.73 -0.748 . . . . 44.45 112.43 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 65.3 110.874 -179.751 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.808 0.337 . . . . 71.01 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 mtt -139.34 138.42 36.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 64.55 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.97 145.62 49.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.918 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.9 156.31 37.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.31 111.054 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -104.23 149.9 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.03 110.929 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -110.89 150.88 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 65.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.12 161.16 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 72.4 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.756 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.0 m-85 -61.96 -29.38 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.947 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -51.78 -44.88 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 65.44 110.92 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.11 -42.02 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 62.14 110.925 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 8' ' ' TYR . 56.2 mt -58.29 -22.47 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.109 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.932 HD13 HG23 ' A' ' 23' ' ' ILE . 12.8 mt -107.86 -17.17 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.877 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.13 60.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 51.35 112.481 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -112.33 152.86 44.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 72.11 111.126 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.6 Cg_endo -69.78 175.51 8.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 43.2 112.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -78.77 -8.78 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.884 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -113.11 3.94 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 159.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.4 111.148 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 169.65 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.894 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.587 ' HA ' HD12 ' A' ' 23' ' ' ILE . 15.7 mm-40 -63.96 -26.31 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 64.54 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -77.79 -42.56 33.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.94 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.6 -32.87 74.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.91 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.932 HG23 HD13 ' A' ' 12' ' ' LEU . 18.7 mt -67.16 -33.8 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 74.55 111.107 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -61.8 -40.44 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.43 110.884 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -72.03 -48.03 47.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.894 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.14 111.151 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -72.72 -34.73 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 70.4 110.961 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -75.23 -47.74 26.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -59.58 -34.37 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.87 -41.72 64.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.52 110.937 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.71 -39.23 76.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 62.43 111.094 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -61.97 -22.37 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.04 110.928 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -78.76 -35.86 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 55.35 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CD2' HD11 ' A' ' 52' ' ' LEU . 82.2 m-85 -105.29 22.07 16.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.977 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 160.7 23.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.692 . . . . 71.33 110.862 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -14.84 36.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.225 . . . . 61.41 112.369 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.33 -21.76 62.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.842 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -110.07 9.93 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 51.42 111.147 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.4 m-80 -90.92 11.92 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -40.5 94.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.896 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -118.61 12.98 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -137.94 81.13 28.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.596 0.713 . . . . 70.32 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 64.2 112.307 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -94.16 -21.33 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 55.14 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.16 -38.19 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 65.34 111.141 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -57.92 -36.24 72.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.948 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.03 -38.75 79.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.864 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -71.13 -34.34 70.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.906 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.489 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.2 t80 -61.42 -33.11 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -64.32 -33.21 75.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.881 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 34' ' ' TYR . 20.5 mt -61.78 -51.73 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 62.3 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.59 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.114 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 64.15 110.854 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.756 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.78 -43.9 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 51.24 111.128 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.79 ' HA ' HD11 ' A' ' 12' ' ' LEU . 41.6 t80 -57.7 -28.74 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.55 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG13 ' HB3' ' A' ' 64' ' ' LYS . 48.4 t -74.45 -44.24 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.15 111.177 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.804 HD22 HD12 ' A' ' 12' ' ' LEU . 6.0 mp -73.17 -8.18 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t -73.58 -13.68 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.85 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.0 131.43 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 73.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.916 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.84 -52.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 71.04 111.154 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HB3' HG13 ' A' ' 58' ' ' VAL . 23.0 mtpt -61.79 -46.58 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.912 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -46.78 87.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -63.38 -42.16 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -59.03 -38.52 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 70.21 110.905 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -72.4 -38.06 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.905 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.0 -29.03 69.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 71.02 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.24 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.07 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -97.9 26.19 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 71.32 110.912 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.88 -170.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 52.02 112.475 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 53.14 110.893 -179.765 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 73.34 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.4 ptp -150.23 136.4 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 53.03 110.876 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.59 133.19 40.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 61.35 110.938 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.5 143.63 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 70.11 111.086 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -77.62 144.87 37.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 70.53 110.926 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -100.48 152.89 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.866 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -118.17 157.3 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 61.42 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.3 m-85 -53.32 -36.59 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 54.11 110.936 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -51.83 -48.01 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 61.11 110.936 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -73.13 -39.49 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 62.53 110.897 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.7 mt -59.7 -23.3 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.04 111.161 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.888 HD13 HG23 ' A' ' 23' ' ' ILE . 13.6 mt -108.07 -15.55 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.927 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 27.14 58.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 52.22 112.484 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.07 152.61 45.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.657 0.742 . . . . 63.51 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.78 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 71.51 112.33 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -78.76 -8.28 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.872 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -113.52 4.0 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 60.04 110.907 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 160.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 60.3 111.101 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -107.48 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.83 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 23' ' ' ILE . 13.7 mm-40 -61.96 -26.59 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 72.52 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -78.09 -42.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.78 -30.64 70.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.888 HG23 HD13 ' A' ' 12' ' ' LEU . 15.6 mt -70.21 -35.91 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 111.1 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -39.03 82.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 61.13 110.903 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -73.9 -47.93 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.26 -31.28 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 51.34 111.105 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.86 -34.83 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.37 -47.48 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 63.15 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.84 -41.53 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.7 -39.81 78.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 60.22 111.115 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -61.02 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 40.42 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -72.92 -38.6 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD2' HD11 ' A' ' 52' ' ' LEU . 75.3 m-85 -101.92 20.65 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 71.42 110.932 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 160.46 13.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.742 . . . . 75.42 110.808 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.63 24.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 65.23 112.393 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.22 -22.81 54.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 62.32 110.903 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -109.82 1.83 19.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 72.11 111.16 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -79.58 -6.06 56.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.1 110.895 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -40.47 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.903 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.45 19.9 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.893 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -147.24 80.74 9.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.602 0.715 . . . . 74.44 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.58 21.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 64.12 112.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -95.53 -19.97 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.865 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.39 -38.74 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 61.22 111.098 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -57.05 -38.64 73.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 53.33 110.91 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.3 -40.04 93.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 50.21 110.867 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -70.94 -34.12 71.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.533 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 44.0 t80 -58.69 -32.82 69.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.824 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -65.92 -35.74 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -60.87 -33.12 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 34' ' ' TYR . 20.6 mt -60.75 -48.64 80.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 74.1 110.901 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.64 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 51.03 111.129 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.5 -50.13 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 65.21 110.855 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.38 -36.84 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 53.13 111.107 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.739 ' HA ' HD11 ' A' ' 12' ' ' LEU . 30.5 t80 -66.32 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.889 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -47.02 87.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 74.3 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 64' ' ' LYS . 38.2 t -74.81 -42.65 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.786 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -71.32 -9.82 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t -73.56 -12.82 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.87 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -138.0 129.18 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.42 110.907 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -54.44 -38.75 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.83 -50.41 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 64.1 111.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.0 mtpp -61.6 -42.85 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.889 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HA ' HG12 ' A' ' 58' ' ' VAL . 71.5 ttp85 -67.15 -47.35 71.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.56 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.01 -38.94 80.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -73.04 -38.07 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.958 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.14 -29.71 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.12 110.831 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.56 -30.42 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.25 26.7 9.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 71.1 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.7 176.55 22.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.485 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 74.4 110.852 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.6 m80 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.81 0.338 . . . . 64.44 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.2 ttt -126.42 136.26 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 62.13 110.892 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 4' ' ' ALA . 2.6 tt -85.28 121.45 28.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.3 110.925 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.528 ' O ' HD23 ' A' ' 3' ' ' LEU . . . -79.19 159.63 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 64.24 111.11 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -70.48 151.8 44.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.878 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.37 153.04 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -117.65 155.91 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.731 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.8 m-85 -61.3 -29.09 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.951 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -51.86 -44.95 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.905 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -73.96 -39.2 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 72.11 110.861 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.5 mt -60.51 -23.36 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.25 111.157 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.929 HD13 HG23 ' A' ' 23' ' ' ILE . 11.4 mt -106.97 -15.53 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 24.53 63.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 61.41 112.509 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 152.69 44.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.13 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.71 175.44 8.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 74.4 112.395 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -78.85 -8.4 58.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.89 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -113.39 3.88 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.868 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 159.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.092 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.45 166.87 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 54.11 110.841 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.674 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.4 mm100 -61.68 -26.28 67.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 71.11 110.954 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -78.07 -43.25 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.45 110.834 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.77 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 65.13 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.929 HG23 HD13 ' A' ' 12' ' ' LEU . 16.7 mt -66.21 -34.46 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.24 -40.44 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.91 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.07 -47.67 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.931 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 64.24 111.093 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -72.86 -34.82 66.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.912 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -75.4 -47.53 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 73.41 110.894 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.64 -34.15 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.958 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -73.13 -41.28 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.896 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.56 -42.0 82.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 32.11 111.103 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.31 -29.64 67.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 70.34 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -72.0 -35.85 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.884 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.523 ' CD2' HD11 ' A' ' 52' ' ' LEU . 95.3 m-85 -102.83 23.95 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 160.47 64.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 71.44 110.864 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.66 33.29 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.245 . . . . 64.33 112.352 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -75.43 -23.0 56.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 73.33 110.821 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 p -105.39 2.91 29.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.097 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.54 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -80.44 -1.71 42.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 61.31 110.898 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -40.39 59.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.899 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -118.5 18.09 13.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.838 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -148.74 80.78 8.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 63.12 110.908 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.64 21.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 74.12 112.35 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -95.53 -18.55 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.36 -33.72 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.14 111.15 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.14 -42.15 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -64.78 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 74.05 110.864 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -71.1 -35.26 71.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.891 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 46.5 t80 -59.54 -31.97 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 71.04 110.832 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -69.64 -32.79 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.74 -32.36 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 30' ' ' LEU . 10.4 mt -63.02 -50.21 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 55.41 110.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.2 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.095 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -64.95 -50.29 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.58 -40.35 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 52.14 111.137 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.746 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.6 t80 -61.88 -26.89 68.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 71.42 110.898 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 64' ' ' LYS . 21.9 t -74.62 -43.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.21 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.723 HD22 HD12 ' A' ' 12' ' ' LEU . 2.9 mp -70.29 -10.55 59.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.928 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 -12.06 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.847 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.85 128.53 26.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.864 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.55 -41.25 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 44.14 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.67 -51.11 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.134 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.4 mtpp -61.74 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 51.44 110.916 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' HA ' HG12 ' A' ' 58' ' ' VAL . 59.7 ttp180 -64.81 -47.92 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.881 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -62.85 -44.64 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 74.34 110.88 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.08 -46.32 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.866 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.93 -35.09 77.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.961 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.67 -31.52 72.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 63.32 110.863 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.44 68.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.103 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -14.41 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.942 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.67 154.85 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.05 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 65.1 110.838 -179.726 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.832 0.348 . . . . 62.22 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.19 134.56 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 44.2 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.5 mm? -77.42 135.44 38.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 63.24 110.916 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.45 160.59 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.12 111.122 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.97 168.76 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 61.21 110.929 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -115.69 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 64.44 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.48 150.75 41.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.6 m-85 -51.86 -33.78 37.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 70.03 110.926 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -51.66 -42.59 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.44 110.887 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.54 -35.67 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 60.44 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 8' ' ' TYR . 71.9 mt -64.86 -28.75 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.134 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.812 HD11 ' HA ' ' A' ' 56' ' ' TYR . 10.2 mt -99.84 -16.48 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.928 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.07 30.29 51.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 74.15 112.476 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.55 152.48 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.722 . . . . 74.34 111.106 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.662 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.78 175.65 7.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 75.34 112.33 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -78.93 -8.92 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.21 110.848 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -115.25 6.24 14.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.881 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -57.05 160.83 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.063 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -107.51 168.81 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.824 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 23' ' ' ILE . 7.5 mm100 -62.36 -26.41 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 65.04 110.899 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.46 -42.58 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.31 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.92 -28.52 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 61.41 110.851 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 20' ' ' GLN . 17.6 mt -71.66 -35.26 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.42 111.142 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -59.47 -41.31 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.91 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.73 -48.07 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.01 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.104 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -72.52 -34.75 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.966 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -75.06 -47.91 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 74.21 110.894 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.936 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.63 -41.33 65.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.917 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.64 -40.13 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 62.05 111.095 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.29 -23.46 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.24 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -80.08 -36.24 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.0 110.946 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD2' HD11 ' A' ' 52' ' ' LEU . 91.6 m-85 -102.58 22.06 14.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.891 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 160.59 45.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 75.32 110.88 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -24.37 29.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.41 112.415 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.736 ' OD2' HG23 ' A' ' 38' ' ' THR . 5.2 p30 -60.57 -21.45 62.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.862 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.736 HG23 ' OD2' ' A' ' 37' ' ' ASP . 17.2 p -109.49 6.7 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.42 111.181 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -86.2 -3.37 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.12 110.858 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -51.58 -40.33 59.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.89 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.48 17.75 13.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.85 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -145.91 80.8 10.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.634 0.731 . . . . 64.41 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.56 21.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 73.24 112.326 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -95.13 -20.47 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.914 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -57.01 -35.62 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 72.03 111.085 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -57.01 -40.24 76.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 63.25 110.875 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -65.04 -36.2 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -71.06 -38.42 72.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.925 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.483 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 42.0 t80 -58.65 -34.07 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.892 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -64.82 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.879 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -60.79 -29.4 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 63.23 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 34' ' ' TYR . 15.9 mt -64.27 -50.46 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.916 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.105 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.43 -50.05 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 65.32 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -70.98 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 74.41 111.079 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.812 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.8 t80 -70.53 -27.07 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.917 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.1 -50.17 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.21 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.618 HG13 ' HB3' ' A' ' 64' ' ' LYS . 90.6 t -74.82 -42.66 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.127 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 8' ' ' TYR . 4.2 mm? -68.08 -12.11 60.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.886 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 t -73.62 -11.43 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.851 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.32 129.52 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.12 -42.15 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.93 -50.3 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.35 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HB3' HG13 ' A' ' 58' ' ' VAL . 13.0 mtpp -63.23 -47.19 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.905 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HA ' HG12 ' A' ' 58' ' ' VAL . 42.9 ttp180 -59.92 -41.59 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 53.24 110.889 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.84 -44.58 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.911 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.09 -49.09 79.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -62.96 -35.34 79.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.943 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -27.47 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 61.35 110.876 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.18 69.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.33 111.086 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -96.15 26.33 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.903 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.73 132.6 26.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 71.11 112.495 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 75.21 110.881 -179.74 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.9 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 73.21 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mtp -67.62 -51.65 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.87 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -75.92 148.42 38.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 71.13 110.949 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.16 139.83 30.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.42 111.068 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 130.58 42.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 63.1 110.877 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -110.58 161.87 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 65.43 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.04 153.49 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.666 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.5 m-85 -54.91 -30.98 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.861 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -51.86 -43.64 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 65.42 110.952 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -75.45 -38.04 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 8' ' ' TYR . 74.7 mt -60.87 -22.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.105 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.825 HD13 HG23 ' A' ' 23' ' ' ILE . 13.5 mt -107.95 -14.63 14.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.91 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 23.51 65.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 63.21 112.533 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.6 m -110.4 152.37 43.25 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 74.31 111.136 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.76 175.28 8.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 52.43 112.369 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.79 -8.56 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.893 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -113.89 4.7 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.898 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.46 159.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 55.32 111.089 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -107.57 163.68 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.41 110.817 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.684 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.7 mm100 -59.66 -26.69 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.897 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -78.1 -40.72 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.64 -36.05 78.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 54.14 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.825 HG23 HD13 ' A' ' 12' ' ' LEU . 19.4 mt -61.27 -32.75 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.151 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.37 -40.43 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.934 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -68.1 -48.04 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.12 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -72.54 -34.66 67.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.929 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.76 -47.83 28.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.04 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -59.78 -34.73 73.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD23 HD22 ' A' ' 52' ' ' LEU . 1.1 mp -72.8 -41.35 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 54.15 110.924 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.63 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.082 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -58.29 -22.2 51.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.928 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -75.62 -35.91 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.904 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' HD11 ' A' ' 52' ' ' LEU . 40.9 m-85 -113.58 25.71 11.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.951 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 159.94 3.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 53.54 110.854 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -19.55 36.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 63.04 112.376 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -23.11 67.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.887 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 p -110.59 5.92 21.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 65.2 111.175 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -86.09 -12.79 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -40.33 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.45 110.913 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.44 18.68 13.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 70.31 110.827 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -139.11 81.7 20.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 72.21 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.75 21.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 70.44 112.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -94.36 -22.9 18.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 54.32 110.923 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.98 94.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 35.32 111.064 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.83 -32.1 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 73.01 110.915 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -73.81 -40.61 63.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.875 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.67 -38.71 77.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.896 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -59.65 -32.0 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.7 t -58.63 -32.99 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 61.31 110.894 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -67.21 -27.6 67.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 30' ' ' LEU . 20.2 mt -70.58 -50.81 33.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.92 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.9 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 60.4 111.134 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.82 -50.2 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.46 -35.79 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 62.33 111.132 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.774 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.9 t80 -67.46 -27.0 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.3 110.873 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.13 -47.19 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.23 110.824 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 65' ' ' ARG . 59.7 t -74.92 -41.39 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.777 HD22 HD12 ' A' ' 12' ' ' LEU . 4.8 mp -73.0 -8.49 55.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.939 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 t -73.61 -15.91 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.35 110.846 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 73.32 110.865 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.29 -42.98 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.893 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -49.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 71.42 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -63.29 -45.77 89.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.03 110.895 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HA ' HG12 ' A' ' 58' ' ' VAL . 60.1 ttp180 -61.04 -48.59 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.82 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.53 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -58.98 -36.42 74.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 70.23 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.68 -38.06 76.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 72.51 110.904 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.09 -25.79 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 61.24 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.18 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 74.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -101.8 26.18 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.913 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.54 169.56 54.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 71.21 112.507 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 41.43 110.843 -179.742 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 70.34 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.8 mtt -93.84 -50.36 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 63.21 110.887 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -63.48 143.26 57.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 62.35 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.28 141.74 57.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 61.15 111.121 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -68.85 130.16 42.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.881 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.0 157.62 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.869 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.35 148.55 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 62.22 110.902 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.6 m-85 -51.81 -33.48 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.897 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -51.51 -46.3 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 72.42 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.49 -39.38 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.931 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 8' ' ' TYR . 69.4 mt -60.48 -32.46 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.125 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.788 HD11 ' HA ' ' A' ' 56' ' ' TYR . 8.4 mt -95.58 -15.81 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.914 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 26.51 59.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 40.34 112.491 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -114.12 152.63 46.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.647 0.737 . . . . 50.43 111.12 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.661 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.9 Cg_endo -69.7 175.31 8.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 74.05 112.37 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -78.93 -8.35 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 61.54 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -115.03 5.65 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 53.33 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.661 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -58.34 160.34 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.43 111.121 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -107.52 173.18 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.42 110.876 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.676 ' HA ' HD12 ' A' ' 23' ' ' ILE . 34.6 mm-40 -65.51 -26.37 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.906 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.77 -40.79 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.55 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -32.83 74.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 20' ' ' GLN . 21.7 mt -66.8 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 72.15 111.119 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.69 -40.98 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.889 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -73.1 -47.94 40.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.886 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.85 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.11 111.103 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.4 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 71.01 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -74.55 -48.01 29.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.971 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -59.9 -34.34 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 55.1 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.1 mp -72.79 -41.56 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 62.31 110.902 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.55 -43.2 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.55 111.12 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -57.37 -23.51 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -75.26 -35.77 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.894 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CD2' HD11 ' A' ' 52' ' ' LEU . 46.4 m-85 -112.72 25.6 11.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.935 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 160.17 4.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 72.0 110.821 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.02 32.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.696 2.264 . . . . 70.32 112.31 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -59.26 -23.9 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -110.42 8.76 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.02 111.138 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.97 -12.39 38.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.19 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.922 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -118.3 19.24 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.869 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.55 81.15 13.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 72.11 110.866 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.83 22.07 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.68 2.254 . . . . 52.01 112.326 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -94.29 -18.2 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 60.14 110.891 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.0 91.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.43 111.097 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -56.92 -33.24 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 65.33 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.68 -39.67 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 44.32 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -70.93 -34.27 71.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.19 -33.49 75.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.908 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 t -59.12 -35.2 73.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.904 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.75 -27.11 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 34' ' ' TYR . 41.2 mt -65.66 -51.22 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 65.43 110.921 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.77 82.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 44.52 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -60.75 -49.97 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 54.43 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.03 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.04 111.146 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.788 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.9 t80 -70.77 -26.75 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.923 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.09 -50.07 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 74.3 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.701 HG13 ' HB3' ' A' ' 64' ' ' LYS . 22.0 t -74.86 -41.9 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.05 111.12 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD13 ' HG3' ' A' ' 65' ' ' ARG . 4.2 mm? -69.26 -11.2 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -73.64 -13.55 61.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.53 110.889 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.72 139.96 40.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 31.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.97 -37.16 85.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.6 -49.5 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.701 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.8 mtpp -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.89 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.498 ' HG3' HD13 ' A' ' 59' ' ' LEU . 3.7 ttt180 -63.79 -41.52 97.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -63.52 -44.99 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.903 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -59.03 -43.45 91.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 72.13 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -69.39 -33.18 72.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.938 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.49 -27.85 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 71.52 110.86 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 71.12 111.122 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.43 26.17 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.931 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.22 -171.99 41.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 42.43 112.47 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.1 110.891 -179.766 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.816 0.341 . . . . 73.32 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.4 ttt -155.11 129.96 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp -68.72 117.41 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 54.14 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.06 141.37 58.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.098 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -97.0 101.23 12.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 64.13 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -101.05 135.44 42.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 63.53 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -63.14 176.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 75.44 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 17.3 m-85 -66.87 -27.2 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.916 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -51.84 -46.25 64.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.507 . . . . 75.34 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -74.21 -38.14 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.04 110.907 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' TYR . 71.6 mt -60.96 -20.73 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.815 HD13 HG23 ' A' ' 23' ' ' ILE . 10.2 mt -110.7 -14.48 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.893 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.46 65.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 73.1 112.493 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -110.85 152.56 43.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 75.12 111.107 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.78 174.88 8.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 74.43 112.348 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -78.05 -8.83 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.89 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -114.5 5.6 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 64.52 110.884 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.594 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.41 158.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.067 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.5 160.64 15.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.841 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 35.6 mm-40 -55.65 -26.3 43.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.902 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.87 -49.18 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -61.52 -36.65 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.84 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.815 HG23 HD13 ' A' ' 12' ' ' LEU . 19.0 mt -59.56 -32.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.15 111.15 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.866 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.44 -47.73 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 72.51 110.899 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 12' ' ' LEU . . . -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 62.24 111.12 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -72.9 -34.8 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.935 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -75.55 -47.47 26.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.925 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -59.53 -34.38 72.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 52' ' ' LEU . 1.3 mp -73.2 -41.46 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.61 -38.72 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 62.54 111.048 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -62.89 -23.18 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 70.52 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -77.97 -36.87 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CD2' HD11 ' A' ' 52' ' ' LEU . 87.6 m-85 -102.86 21.94 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 71.32 110.936 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 160.75 35.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.527 0.679 . . . . 65.21 110.863 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.648 2.232 . . . . 63.52 112.35 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' OD1' HG23 ' A' ' 38' ' ' THR . 1.6 p-10 -77.68 -22.87 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 74.11 110.893 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.474 HG23 ' OD1' ' A' ' 37' ' ' ASP . 16.8 p -107.56 7.08 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 61.54 111.166 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.7 m-80 -86.4 -3.1 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.91 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -51.56 -40.34 59.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.856 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.35 17.94 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -147.06 80.46 9.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 73.14 110.866 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.52 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 71.11 112.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -95.54 -18.74 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.44 110.852 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.3 -36.16 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 52.44 111.083 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.18 -37.99 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.24 -37.81 86.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.33 110.834 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -71.16 -35.78 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 40.7 t80 -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -65.75 -33.71 76.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.861 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -61.98 -34.25 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.35 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 34' ' ' TYR . 16.9 mt -59.99 -47.92 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.893 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.26 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.122 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.5 -50.18 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 60.13 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.615 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.47 -34.21 69.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 64.23 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.754 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.5 t80 -72.54 -26.83 61.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.21 110.937 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.72 -50.02 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.885 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG13 ' HB3' ' A' ' 64' ' ' LYS . 24.4 t -74.85 -38.62 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.53 111.121 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.773 HD22 HD12 ' A' ' 12' ' ' LEU . 5.3 mp -73.79 -7.66 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 55.23 110.934 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 t -73.62 -17.78 61.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.64 139.84 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.891 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -61.81 -41.86 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.884 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.57 -54.01 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 73.34 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HB3' HG13 ' A' ' 58' ' ' VAL . 53.0 mtmt -63.65 -47.08 82.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.876 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -57.3 -41.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 72.02 110.881 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.14 -41.94 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.87 -49.2 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.868 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.505 ' CD1' HG11 ' A' ' 58' ' ' VAL . 14.7 m-85 -73.22 -29.24 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.884 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.31 -26.14 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.87 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.85 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.127 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -101.12 27.26 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.919 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.76 174.26 5.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 41.3 112.482 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 74.45 110.879 -179.743 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.838 0.351 . . . . 72.41 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.8 mmt -71.89 122.7 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tp -83.32 134.91 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 53.3 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.89 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.121 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -131.55 118.56 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 74.53 110.908 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.12 150.48 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.895 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.41 164.17 13.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 70.43 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.688 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.6 m-85 -56.37 -31.89 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.91 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -52.0 -44.01 63.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.918 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -75.25 -37.72 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 65.44 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 8' ' ' TYR . 75.4 mt -61.38 -24.36 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 72.43 111.105 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.901 HD13 HG23 ' A' ' 23' ' ' ILE . 12.8 mt -105.98 -14.42 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 63.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.42 65.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.488 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -110.65 152.55 43.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 75.44 111.149 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 54.3 Cg_endo -69.69 175.23 8.32 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 71.43 112.4 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -78.55 -8.67 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 71.21 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.5 5.52 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 71.12 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.3 160.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 45.24 111.086 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 m -107.47 162.08 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 53.11 110.878 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.5 mm100 -57.18 -26.3 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.943 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -47.62 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.894 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.65 -29.03 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.05 110.857 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.901 HG23 HD13 ' A' ' 12' ' ' LEU . 16.7 mt -70.72 -36.19 63.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -60.59 -40.2 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.51 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -72.49 -48.04 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.08 -31.19 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 64.14 111.079 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.86 -34.76 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 63.54 110.919 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -75.4 -47.5 27.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 62.34 110.918 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -59.59 -34.41 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.874 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.97 -41.49 64.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.91 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.515 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.63 -40.54 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.115 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.16 -24.51 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -73.72 -39.19 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.869 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CD2' HD11 ' A' ' 52' ' ' LEU . 71.4 m-85 -100.84 18.44 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.962 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 160.64 5.25 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.614 0.721 . . . . 74.13 110.858 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -12.0 31.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 72.22 112.339 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -78.51 -20.16 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 71.41 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -109.8 10.04 24.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 70.21 111.12 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -91.33 12.55 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 62.04 110.866 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -40.6 90.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 71.42 110.95 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.64 15.77 13.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.869 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -141.87 81.29 14.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 64.45 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 64.12 112.317 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -94.5 -20.0 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.92 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.24 -37.49 69.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 64.21 111.143 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -57.96 -43.8 86.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.928 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.97 -37.75 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.916 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -70.88 -34.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 72.21 110.904 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.3 t80 -58.73 -36.39 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 63.32 110.85 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -62.5 -34.43 76.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.85 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -61.51 -32.9 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.01 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 34' ' ' TYR . 19.4 mt -60.92 -49.61 76.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.87 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.6 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 55.32 111.124 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.51 -50.01 71.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 63.41 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.2 -36.98 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 65.44 111.07 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.4 t80 -68.32 -26.58 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.905 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -49.92 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.86 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 64' ' ' LYS . 22.1 t -74.62 -39.28 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 111.123 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.765 HD22 HD12 ' A' ' 12' ' ' LEU . 5.1 mp -72.99 -7.8 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -73.37 -16.68 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 62.02 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -134.17 137.7 44.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 70.32 110.859 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.79 -42.93 94.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 53.54 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.2 t -57.8 -54.02 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 72.2 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.664 ' HB3' HG13 ' A' ' 58' ' ' VAL . 50.9 mtmt -64.06 -46.88 82.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -57.32 -41.1 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.85 -38.39 78.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.31 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.14 -37.37 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 65.24 110.945 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -59.5 -31.34 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 75.33 110.853 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.25 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 73.42 111.1 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -112.04 26.63 10.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.914 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.08 148.91 19.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 73.44 112.498 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 44.31 110.851 -179.74 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.32 . . . . 60.52 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.7 tpt -110.05 129.47 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.85 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.89 123.9 27.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 62.33 110.903 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 161.15 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.42 111.128 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 141.66 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.02 110.896 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -110.15 134.49 52.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.848 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -114.06 159.71 19.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 70.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.729 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.2 m-85 -65.06 -26.99 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 74.22 110.892 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -51.91 -45.38 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 63.04 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -73.2 -41.17 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 65.33 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 8' ' ' TYR . 63.9 mt -57.89 -22.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 64.5 111.145 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.897 HD13 HG23 ' A' ' 23' ' ' ILE . 12.4 mt -108.73 -16.25 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.94 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.28 24.79 62.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 62.04 112.501 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.53 152.79 43.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 70.24 111.118 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.74 175.55 7.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 74.12 112.351 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -78.86 -8.66 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -112.72 3.53 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.39 159.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.098 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -107.47 170.33 8.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 52.24 110.87 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.589 ' HA ' HD12 ' A' ' 23' ' ' ILE . 18.7 mm-40 -64.57 -26.39 68.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 70.43 110.893 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.64 -40.33 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -68.8 -34.98 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.888 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.897 HG23 HD13 ' A' ' 12' ' ' LEU . 16.9 mt -65.33 -34.96 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.31 111.131 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -60.99 -40.49 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.917 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -72.03 -48.08 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 73.14 110.914 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -72.7 -34.8 67.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.958 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -75.49 -47.65 26.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 72.31 110.91 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -59.49 -33.99 72.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.931 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 52' ' ' LEU . 1.5 mp -73.28 -41.69 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.93 -32.58 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.03 111.095 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.07 -17.6 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 53.54 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -80.43 -35.57 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.54 110.867 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -109.32 27.33 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.928 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 156.39 2.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 75.51 110.846 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.56 28.85 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 73.11 112.401 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.96 -29.36 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.875 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.6 p -110.61 10.41 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 71.11 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -88.74 -11.47 44.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 70.22 110.878 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -54.12 -40.46 67.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 51.54 110.889 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -118.6 11.26 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.834 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.94 82.33 66.77 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.603 0.716 . . . . 72.35 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 61.42 112.343 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -93.17 -19.67 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 63.25 110.89 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.18 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 62.14 111.066 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -56.94 -32.28 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.867 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.15 -39.89 75.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 63.31 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -71.12 -37.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 61.15 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 38.1 t80 -65.36 -37.22 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.89 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -62.16 -32.94 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.81 -26.91 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 62.55 110.888 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 30' ' ' LEU . 23.9 mt -68.12 -48.02 66.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.918 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.07 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.102 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -64.65 -50.31 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 70.21 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.63 -41.81 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 61.14 111.111 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.773 ' HA ' HD11 ' A' ' 12' ' ' LEU . 34.3 t80 -60.24 -27.03 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 72.11 110.882 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.46 -44.24 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 71.13 111.146 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -72.7 -8.46 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 64.22 110.937 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 t -73.65 -13.74 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.841 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.79 129.72 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -53.51 -42.29 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.872 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.4 -53.07 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 50.22 111.098 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.22 -44.6 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -45.62 94.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 70.02 110.907 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -64.13 -43.14 96.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -58.99 -41.23 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.955 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.0 -34.81 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.0 110.943 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -67.15 -31.86 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.936 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.93 91.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 75.22 111.089 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -103.45 26.53 8.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.968 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.76 175.55 19.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.3 112.498 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 63.35 110.86 -179.745 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 25.3 p80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 52.12 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.6 mmm -130.01 148.0 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.876 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 117.28 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 65.32 110.907 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.3 50.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 61.55 111.136 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -53.64 118.17 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.91 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -112.15 136.28 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 71.14 110.834 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.57 159.58 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 50.32 110.857 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.688 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 9.9 m-85 -58.06 -27.37 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.93 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -54.89 -47.7 73.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.34 -31.88 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 62.23 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 78.4 mt -65.69 -23.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.148 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 59' ' ' LEU . 13.0 mt -111.0 -15.68 13.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 61.24 110.93 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.15 39.6 22.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 63.02 112.495 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.22 152.49 67.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 65.43 111.124 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.74 174.26 9.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 61.32 112.343 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -78.73 -7.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 65.02 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -115.27 5.91 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 65.45 110.88 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.3 159.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.04 111.088 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -107.5 157.31 18.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.854 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -54.71 -27.15 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 72.25 110.894 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -78.05 -40.92 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.39 -36.43 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.835 HD13 ' HB3' ' A' ' 59' ' ' LEU . 83.1 mt -63.77 -32.83 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 71.44 111.165 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -63.14 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 72.4 110.945 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -69.85 -47.02 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.89 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.01 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.45 111.142 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.56 -34.77 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.955 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -74.92 -47.79 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 64.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.62 -41.46 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.939 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -39.55 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 54.04 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.12 -21.06 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 54.14 110.884 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -80.07 -38.52 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 75.31 110.884 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CD2' HD11 ' A' ' 52' ' ' LEU . 80.6 m-85 -101.42 22.49 12.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 73.4 110.93 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 160.55 43.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 72.3 110.822 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.99 31.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 71.23 112.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.713 ' OD1' HG23 ' A' ' 38' ' ' THR . 3.8 p-10 -70.66 -23.64 62.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 65.44 110.859 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.713 HG23 ' OD1' ' A' ' 37' ' ' ASP . 16.7 p -109.19 2.22 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.159 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -79.55 -5.44 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.5 110.841 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.39 59.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 63.42 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.39 19.46 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.869 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -147.66 80.69 8.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 64.53 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 73.43 112.382 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -95.42 -19.57 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.949 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.442 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.34 -38.18 71.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 73.22 111.097 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -57.12 -37.53 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 55.32 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.84 -39.91 94.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -71.13 -35.78 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.6 t80 -59.14 -32.01 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.855 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -65.84 -34.27 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.858 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -62.15 -33.36 74.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 73.51 110.928 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.507 HD11 ' CD2' ' A' ' 34' ' ' TYR . 15.2 mt -60.16 -45.74 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 55.53 110.898 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.5 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.128 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.45 -50.48 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.82 -38.96 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.15 111.125 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.692 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.4 t80 -63.21 -26.9 69.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.926 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.59 -46.27 90.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 65' ' ' ARG . 67.6 t -74.83 -41.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.02 111.151 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 12' ' ' LEU . 29.5 mt -74.21 -7.69 53.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 70.22 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 t -74.37 -15.61 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.808 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 134.49 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.03 -39.01 80.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.88 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.67 -53.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 44.34 111.162 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HA ' HG12 ' A' ' 58' ' ' VAL . 14.7 ttt-85 -64.23 -45.7 87.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 70.55 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -61.01 -41.65 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -59.06 -38.34 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.88 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.43 -34.4 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.916 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.41 -29.68 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 54.2 110.849 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.32 85.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.061 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -111.06 26.29 10.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 72.43 110.91 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.71 155.89 21.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 32.14 112.481 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 70.53 110.874 -179.732 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 39.6 m80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.331 . . . . 71.45 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.8 mtm -94.36 122.39 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -71.78 138.67 48.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 62.15 110.965 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.75 27.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.23 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -56.7 146.46 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 71.41 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -119.05 143.57 47.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 75.35 110.934 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.41 158.23 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.681 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.3 m-85 -59.8 -28.07 67.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.893 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -51.93 -45.27 64.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 75.34 110.92 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -72.86 -41.77 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 8' ' ' TYR . 63.7 mt -57.75 -22.92 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.098 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.879 HD13 HG23 ' A' ' 23' ' ' ILE . 11.5 mt -107.77 -15.94 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 71.45 110.901 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.71 65.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.458 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.9 152.75 43.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 44.4 111.151 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.81 175.46 8.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 71.42 112.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -78.87 -8.59 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -111.73 2.52 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.855 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.36 158.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 23.3 111.089 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -107.53 170.58 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.869 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.622 ' HA ' HD12 ' A' ' 23' ' ' ILE . 20.8 mm-40 -63.95 -26.34 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -76.43 -43.91 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 64.44 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.847 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.879 HG23 HD13 ' A' ' 12' ' ' LEU . 17.9 mt -59.59 -34.5 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 70.43 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -61.66 -40.28 94.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 61.41 110.915 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -71.71 -48.07 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.15 110.89 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 53.13 111.119 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.22 110.94 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.52 -47.4 27.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 75.11 110.922 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.59 -33.61 71.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 71.3 110.833 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' ' 52' ' ' LEU . 2.0 mp -74.92 -41.61 59.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.927 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.75 -32.58 67.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.1 111.103 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -73.38 -26.94 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.84 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -70.36 -37.01 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.893 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' A' ' 52' ' ' LEU . 74.2 m-85 -104.85 27.67 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.914 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 156.14 1.95 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 75.45 110.825 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 71.42 112.297 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.06 -29.39 57.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.897 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.9 p -110.69 11.26 22.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 73.3 111.095 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.23 -14.52 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -40.47 60.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 51.21 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -118.55 10.77 12.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.9 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.99 82.29 66.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 23.23 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.72 21.79 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.248 . . . . 70.22 112.339 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.0 -19.81 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.89 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.26 78.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 65.44 111.138 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -56.88 -32.28 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.04 110.891 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.32 -38.69 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -71.13 -38.12 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 40.42 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -64.96 -40.82 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.909 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -60.28 -33.32 72.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.73 -27.49 67.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' LEU . 13.6 mt -66.82 -48.31 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 60.42 110.93 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.78 70.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.52 111.132 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -67.36 -50.24 60.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 22.4 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.59 -37.87 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 65.22 111.08 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.766 ' HA ' HD11 ' A' ' 12' ' ' LEU . 33.9 t80 -64.81 -27.05 68.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.898 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 64' ' ' LYS . 33.7 t -74.56 -43.73 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.178 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD22 HD12 ' A' ' 12' ' ' LEU . 4.8 mp -72.98 -8.4 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.898 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.56 -14.35 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.886 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -138.37 132.56 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.877 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.57 -41.8 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.888 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.52 -53.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 52.41 111.144 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HB3' HG13 ' A' ' 58' ' ' VAL . 21.4 mtpt -62.35 -45.83 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 44.42 110.907 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -59.05 -45.76 89.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.843 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -67.2 -42.88 83.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.947 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -59.03 -36.24 74.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.892 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.12 -36.35 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.03 110.936 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -26.89 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.864 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.48 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 41.43 111.108 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -102.42 26.35 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 72.2 110.92 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.75 148.67 16.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 32.14 112.523 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 54.03 110.832 -179.729 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.344 . . . . 73.12 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.5 mmt -82.0 -65.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 34.1 110.889 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.33 138.25 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.75 137.88 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 61.02 111.084 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -78.03 -179.34 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -109.84 164.05 12.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.948 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.02 154.61 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.04 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.719 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 9.4 m-85 -58.17 -32.37 68.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 73.35 110.942 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -52.22 -46.37 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.04 110.927 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -73.21 -39.93 65.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 71.3 110.879 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.2 mt -59.56 -24.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.172 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.909 HD13 HG23 ' A' ' 23' ' ' ILE . 12.6 mt -105.58 -14.88 15.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.867 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.73 65.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 64.11 112.505 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -111.44 152.87 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 73.22 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.566 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.81 175.32 8.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.257 . . . . 63.45 112.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -78.8 -8.38 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.3 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -113.59 4.16 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.52 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.33 159.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 p -107.48 168.63 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 23' ' ' ILE . 13.4 mm-40 -63.37 -26.33 68.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.898 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -40.51 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.05 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.62 -35.39 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 75.11 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.909 HG23 HD13 ' A' ' 12' ' ' LEU . 15.6 mt -63.3 -34.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 45.15 111.079 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -63.08 -39.35 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 51.32 110.882 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -68.92 -48.02 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.939 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.92 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.22 111.086 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -71.86 -34.52 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -73.65 -48.15 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 72.5 110.914 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.83 -33.87 73.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.525 HD23 HD22 ' A' ' 52' ' ' LEU . 1.2 mp -73.04 -41.78 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 64.22 110.942 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.81 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.11 111.076 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -76.43 -36.93 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD2' HD11 ' A' ' 52' ' ' LEU . 48.8 m-85 -111.99 25.73 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 160.11 5.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 71.3 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -22.09 32.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.609 2.206 . . . . 63.55 112.353 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.55 -22.41 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 61.12 110.885 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -110.63 8.12 22.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.116 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -89.25 -1.03 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.64 82.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 63.21 110.898 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.56 14.25 13.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 70.23 110.882 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -134.59 81.3 48.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 71.43 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.83 22.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.703 2.268 . . . . 54.42 112.289 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -23.22 18.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.44 110.851 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.43 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 40.32 111.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.0 -33.4 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.28 -41.31 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 53.35 110.858 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -68.91 -37.51 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.41 -32.34 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 70.45 110.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -59.75 -32.75 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.858 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.98 -29.0 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 64.54 110.86 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD22 HD23 ' A' ' 30' ' ' LEU . 14.2 mt -70.01 -52.13 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 52.04 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.073 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.28 -49.93 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.865 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.719 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.41 -36.49 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.08 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.752 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.8 t80 -68.19 -27.01 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 74.11 110.924 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.41 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 62.42 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 65' ' ' ARG . 44.6 t -74.72 -42.58 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 31.42 111.131 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 12' ' ' LEU . 3.9 mp -69.65 -11.0 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.92 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 t -73.57 -11.99 60.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 64.03 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -136.84 128.42 28.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 73.01 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -55.46 -43.17 75.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.893 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.16 -48.33 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 70.54 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -62.28 -47.41 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.849 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.575 ' HA ' HG12 ' A' ' 58' ' ' VAL . 32.7 ttp180 -59.74 -47.86 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.836 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -64.55 -42.72 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.21 110.912 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -61.23 -46.22 91.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.86 -31.12 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.927 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.49 -27.9 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -27.44 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.1 111.065 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -102.51 -14.45 16.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.23 110.917 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.26 134.98 12.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 44.44 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 55.04 110.854 -179.75 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 73.53 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 39.5 tpp -107.84 83.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 62.21 110.851 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.29 139.74 30.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.61 134.48 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 42.21 111.094 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 87.36 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -101.16 132.65 46.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.52 110.951 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.57 154.14 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.844 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.687 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.4 m-85 -57.22 -25.94 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.918 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -56.56 -47.82 78.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.15 110.94 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.56 -30.06 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 64.53 110.927 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 8' ' ' TYR . 79.5 mt -66.8 -23.01 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 62.14 111.135 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 59' ' ' LEU . 13.6 mt -111.31 -15.0 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 63.01 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 40.78 18.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 65.52 112.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 m -126.03 152.62 73.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 60.43 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.0 Cg_endo -69.86 174.88 8.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.24 . . . . 73.33 112.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -78.83 -8.03 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.898 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -114.8 5.2 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.53 110.874 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.564 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.43 159.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.2 111.1 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p -107.51 158.0 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -52.98 -28.44 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -75.25 -49.87 17.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.885 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.52 -33.83 74.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.817 HD13 ' HB3' ' A' ' 59' ' ' LEU . 86.1 mt -67.8 -32.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 72.32 111.168 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -63.67 -38.69 92.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.879 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.85 -46.89 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.9 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.55 111.136 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.72 -34.76 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.911 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.08 -47.74 27.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.7 -34.15 72.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 74.14 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.94 -40.89 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.31 -45.42 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.21 111.114 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -56.84 -24.76 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.77 -40.43 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 62.0 110.931 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CD2' HD11 ' A' ' 52' ' ' LEU . 84.1 m-85 -100.63 23.67 10.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 160.41 36.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 73.44 110.872 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.68 31.38 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.734 2.289 . . . . 60.33 112.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.57 -22.09 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.891 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.6 p -105.11 1.52 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 73.32 111.112 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -79.55 -4.42 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 51.44 110.856 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -40.32 59.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 52.02 110.926 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -118.48 18.76 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.848 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.85 81.02 8.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 71.33 110.878 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.27 . . . . 70.23 112.329 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 -19.29 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.907 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.3 -36.4 68.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 72.04 111.093 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -56.96 -42.56 80.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 72.23 110.893 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.41 -38.06 86.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.912 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt -70.93 -36.04 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 71.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.7 t80 -59.15 -32.12 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -65.8 -33.38 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -62.39 -33.74 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 63.4 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' LEU . 13.2 mt -60.36 -47.88 84.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 51.24 110.908 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.74 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 51.52 111.107 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.39 -50.38 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.687 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.88 -39.36 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 42.43 111.137 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.702 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.4 t80 -62.68 -26.86 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.938 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.46 -46.66 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 65.3 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 65' ' ' ARG . 28.0 t -75.0 -40.73 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.24 111.149 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 12' ' ' LEU . 30.0 mt -74.27 -7.89 54.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.91 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 t -73.74 -17.01 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 130.22 28.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 55.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.41 -38.71 71.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.42 -51.1 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.113 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -63.01 -45.05 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 63.32 110.92 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HA ' HG12 ' A' ' 58' ' ' VAL . 43.9 ttp180 -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.912 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -63.65 -44.15 94.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.895 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.03 -47.44 85.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.909 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -65.72 -30.77 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.893 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.32 -27.68 68.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 60.15 110.875 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.79 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.21 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -115.43 26.33 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.911 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.56 137.41 14.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 72.41 112.485 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 71.24 110.914 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 72.25 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.4 mtp -63.39 123.51 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 73.32 110.856 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.01 148.81 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 72.54 110.899 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.79 140.43 30.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 61.12 111.09 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.92 116.52 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.905 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -80.3 139.36 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 74.03 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -82.61 152.47 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 61.34 110.888 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.699 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.2 m-85 -57.05 -25.76 59.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.927 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -56.76 -48.17 78.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 62.33 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.82 -31.15 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 74.02 110.886 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 8' ' ' TYR . 75.2 mt -65.38 -22.94 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 73.44 111.119 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.997 HD12 HD12 ' A' ' 59' ' ' LEU . 14.7 mt -111.49 -15.08 13.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.937 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.26 40.93 18.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 54.51 112.501 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.14 152.43 73.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 72.31 111.168 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.9 Cg_endo -69.71 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 65.12 112.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -78.82 -8.01 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.872 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -115.21 6.18 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.542 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.22 161.34 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.54 111.089 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -107.62 155.29 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 60.44 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -53.02 -28.65 25.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -77.96 -40.85 38.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -69.6 -30.14 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.837 HD13 ' HB3' ' A' ' 59' ' ' LEU . 88.7 mt -71.25 -32.67 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.33 111.099 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -62.86 -39.95 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.885 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -70.09 -45.09 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.927 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.0 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 62.01 111.105 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -72.82 -34.68 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.943 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -75.24 -47.61 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 65.4 110.926 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -59.62 -34.58 72.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.86 -41.37 64.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.458 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -39.42 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.08 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.93 -20.24 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 63.34 110.916 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -79.96 -41.78 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.871 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.519 ' CD2' HD11 ' A' ' 52' ' ' LEU . 77.3 m-85 -97.64 19.0 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.941 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 160.59 9.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 74.13 110.834 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.66 33.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.272 . . . . 73.23 112.328 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -78.57 -19.03 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.41 110.865 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -110.24 10.15 23.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.32 111.136 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.4 m-80 -91.49 13.2 18.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -40.58 93.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.896 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.6 15.32 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 72.42 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -142.44 81.11 14.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 74.54 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -7.71 21.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 63.41 112.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -19.32 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.88 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.31 -35.47 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 53.41 111.12 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -65.32 -38.34 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.889 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -70.87 -34.3 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 73.45 110.937 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.458 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.3 t80 -59.45 -32.56 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 62.52 110.907 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -64.79 -32.85 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.862 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.7 -32.93 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 61.24 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 34' ' ' TYR . 18.4 mt -60.06 -46.28 90.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.872 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.93 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 41.25 111.079 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.97 -50.31 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.911 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.85 -39.73 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 60.1 111.091 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.69 ' HA ' HD11 ' A' ' 12' ' ' LEU . 24.2 t80 -62.4 -27.02 68.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.927 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.62 -46.69 88.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 55.32 110.917 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 65' ' ' ARG . 59.2 t -74.84 -40.79 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 71.22 111.111 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.997 HD12 HD12 ' A' ' 12' ' ' LEU . 28.8 mt -74.22 -7.88 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.44 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -15.35 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 53.13 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.96 138.06 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.915 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.32 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.854 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.09 -50.24 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -62.74 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.44 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 58' ' ' VAL . 29.8 ttp180 -65.76 -48.27 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -60.96 -44.63 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 70.11 110.886 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -68.13 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.94 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.36 -28.97 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 73.34 110.859 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.9 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 60.15 111.112 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.15 -14.41 18.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.39 162.16 50.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 74.43 112.452 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 62.55 110.807 -179.738 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.725 0.298 . . . . 71.45 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 mmm -137.74 155.27 49.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.77 125.07 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.9 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.39 142.7 48.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.04 111.075 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -122.24 120.88 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.936 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -103.91 142.33 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.68 151.59 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 64.42 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.717 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.6 m-85 -55.62 -29.43 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.931 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -52.52 -48.83 65.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 61.24 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -73.83 -32.09 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 8' ' ' TYR . 74.4 mt -63.73 -23.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.085 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.986 HD12 HD12 ' A' ' 59' ' ' LEU . 16.6 mt -111.47 -14.47 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 63.4 110.932 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.31 39.92 21.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 40.54 112.454 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.74 152.41 69.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 54.34 111.136 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.0 Cg_endo -69.75 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 73.54 112.326 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -78.89 -7.28 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 71.03 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -111.42 1.66 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.38 158.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 55.3 111.124 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -107.48 159.7 16.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 42.54 110.846 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -54.2 -27.29 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.05 110.869 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -49.84 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 71.42 110.928 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.76 -35.92 79.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.875 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.847 HD13 ' HB3' ' A' ' 59' ' ' LEU . 88.8 mt -65.53 -32.86 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 62.24 111.125 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.98 -40.26 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.881 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.25 -47.61 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 70.53 110.866 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.74 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 61.23 111.109 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -72.51 -34.82 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 62.34 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -74.81 -47.81 28.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.973 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.61 -34.82 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 72.43 110.956 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -72.88 -41.42 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 71.34 110.93 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.05 82.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.065 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -57.3 -23.4 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 71.42 110.922 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.14 110.89 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CD2' HD11 ' A' ' 52' ' ' LEU . 71.4 m-85 -111.11 25.19 12.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 160.14 5.2 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 74.51 110.895 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -15.07 36.99 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 71.31 112.331 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -68.33 -23.83 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.902 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -110.42 5.0 21.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.25 111.143 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.69 -12.86 53.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 70.31 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -40.33 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 64.03 110.905 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.35 19.16 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.4 110.922 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -140.19 81.73 17.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 72.04 110.82 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -7.88 22.19 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.715 2.276 . . . . 75.42 112.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -22.71 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.878 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.43 93.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 64.22 111.101 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -56.91 -31.32 64.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 55.24 110.891 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -73.93 -40.6 62.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.879 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -70.87 -37.51 73.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.907 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -58.77 -33.61 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -59.06 -32.83 70.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 70.11 110.874 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -65.09 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.68 HD22 HD23 ' A' ' 30' ' ' LEU . 15.3 mt -65.36 -53.07 48.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.79 -50.23 74.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.902 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.717 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.59 -42.91 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.12 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.579 ' HA ' HD11 ' A' ' 12' ' ' LEU . 18.3 t80 -59.3 -26.91 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.94 -48.7 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.905 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 65' ' ' ARG . 22.4 t -74.89 -39.23 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.095 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.986 HD12 HD12 ' A' ' 12' ' ' LEU . 34.9 mt -74.31 -7.88 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.936 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -75.12 -16.15 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.05 132.21 31.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.05 -43.89 78.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.76 -50.8 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.133 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -62.54 -46.55 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.41 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.652 ' HA ' HG12 ' A' ' 58' ' ' VAL . 31.9 ttp180 -60.57 -43.76 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.861 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -65.53 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.941 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -59.08 -38.84 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 64.11 110.928 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -70.37 -37.13 74.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 60.24 110.909 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.41 -26.49 68.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.896 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.42 -28.28 69.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 60.03 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -109.18 27.22 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 71.5 110.92 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.21 163.51 12.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 64.52 112.466 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 61.12 110.856 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.757 0.313 . . . . 75.34 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 69.9 mtm -127.14 164.91 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 60.4 110.895 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 117.34 22.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.877 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.53 134.04 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 43.45 111.135 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -99.99 138.2 37.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 63.04 110.862 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -98.89 135.8 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.926 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.6 146.84 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 64.41 110.882 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.726 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 16.1 m-85 -60.12 -25.3 65.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.936 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -51.86 -49.01 63.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -70.09 -41.53 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.7 mt -58.23 -22.72 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.132 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.935 HD13 HG23 ' A' ' 23' ' ' ILE . 8.8 mt -107.66 -15.45 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.922 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.61 65.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 52.23 112.486 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.79 152.52 43.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 50.22 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.571 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.81 175.74 7.74 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 71.01 112.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mmm-85 -78.78 -8.85 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 51.41 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -111.81 2.4 17.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.55 156.78 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 52.22 111.117 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -107.47 168.9 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.871 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.685 ' HA ' HD12 ' A' ' 23' ' ' ILE . 17.6 mm-40 -60.57 -26.34 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.926 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -75.52 -47.27 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.922 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.03 -38.83 92.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 64.35 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.935 HG23 HD13 ' A' ' 12' ' ' LEU . 17.7 mt -59.33 -35.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.33 111.153 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.917 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -72.33 -47.88 46.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.883 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 63.34 111.09 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.68 -34.67 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 71.45 110.919 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -75.41 -47.73 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -59.59 -34.16 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.95 -41.73 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.943 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.72 -38.93 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 63.31 111.078 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -62.46 -23.06 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -77.87 -36.37 49.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.874 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.504 ' CD2' HD11 ' A' ' 52' ' ' LEU . 83.0 m-85 -104.29 22.23 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 64.51 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.32 160.72 30.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 75.23 110.913 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.07 30.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 74.33 112.328 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -78.29 -20.68 51.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.851 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.6 p -110.22 10.15 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.18 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -91.09 12.38 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 71.02 110.905 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.58 92.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.52 110.89 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -118.55 15.17 13.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 64.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -141.38 81.18 15.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.615 0.722 . . . . 75.52 110.889 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.75 21.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.248 . . . . 73.43 112.327 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -94.66 -19.8 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.51 110.899 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.53 -38.98 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 65.11 111.083 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -57.11 -41.72 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.941 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.98 -38.11 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -71.13 -34.24 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 51.43 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.445 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.9 t80 -59.18 -33.92 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.907 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -64.02 -33.64 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.53 110.872 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.65 -30.56 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 52.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 34' ' ' TYR . 17.3 mt -63.37 -52.8 60.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.901 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 35.2 111.1 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.96 -50.18 69.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.726 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.47 -39.49 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 63.34 111.115 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.729 ' HA ' HD11 ' A' ' 12' ' ' LEU . 23.1 t80 -66.93 -26.92 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 65.34 110.893 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.66 -49.98 75.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.22 110.826 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.691 HG13 ' HB3' ' A' ' 64' ' ' LYS . 77.3 t -74.15 -38.9 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 63.34 111.107 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 12' ' ' LEU . 3.9 mp -73.49 -7.5 52.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 54.35 110.89 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -73.75 -17.13 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -131.77 141.44 49.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 52.42 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.2 -38.74 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 63.1 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.88 -54.06 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 51.53 111.13 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.691 ' HB3' HG13 ' A' ' 58' ' ' VAL . 30.2 mtmm -62.87 -46.71 86.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -56.91 -41.95 79.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.85 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -67.33 -40.53 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 74.42 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.84 -47.97 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 63.23 110.91 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.57 -33.21 75.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -61.48 -33.24 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.87 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 73.4 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.24 27.38 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 60.32 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.52 146.75 16.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 61.51 112.502 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 72.35 110.89 -179.735 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 64.9 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 65.2 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.93 178.9 4.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 64.43 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mp -69.69 131.05 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.921 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.33 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.118 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -84.23 100.22 11.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 63.13 110.836 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.7 140.59 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 64.01 110.883 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.31 152.79 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.824 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.9 m-85 -51.89 -35.45 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.908 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -51.24 -48.52 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.957 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.9 -40.39 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.5 110.924 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.2 mt -59.14 -33.29 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.146 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.821 HD11 ' HA ' ' A' ' 56' ' ' TYR . 8.0 mt -94.38 -15.56 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.15 62.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 73.33 112.519 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.07 152.7 44.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 72.13 111.183 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.663 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.77 175.63 7.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 70.51 112.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -9.11 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.55 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -115.16 6.72 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 65.33 110.9 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -57.98 160.79 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 52.43 111.09 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.63 171.62 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.636 ' HA ' HD12 ' A' ' 23' ' ' ILE . 37.2 mm-40 -64.34 -26.32 68.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.21 -41.25 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 61.34 110.874 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -66.66 -28.76 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 20' ' ' GLN . 23.1 mt -72.26 -34.37 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.46 -41.22 93.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.87 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -74.05 -48.0 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.79 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.119 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.23 -34.68 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.41 -48.26 28.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 72.43 110.874 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.79 -34.48 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 71.34 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.86 -41.76 64.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.917 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.97 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.21 111.107 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -57.94 -22.5 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 71.13 110.925 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -75.54 -35.72 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.875 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 52' ' ' LEU . 50.9 m-85 -113.88 26.01 10.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 71.4 110.93 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 159.98 4.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 72.31 110.879 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.92 31.59 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.693 2.262 . . . . 63.1 112.365 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.74 -21.98 64.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.7 p -110.26 5.73 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.163 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -86.11 -6.52 59.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 60.41 110.866 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -40.38 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.922 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.43 15.7 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 75.52 110.83 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -136.86 81.44 33.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 42.12 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 73.24 112.295 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -93.3 -22.71 18.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.01 110.875 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.37 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 62.21 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -56.95 -32.3 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -73.55 -43.87 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 63.54 110.902 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.29 -32.86 74.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.7 t -58.49 -36.06 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 30.23 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -64.71 -27.4 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 30' ' ' LEU . 38.8 mt -66.22 -52.86 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 61.23 110.916 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.53 85.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.109 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.95 -47.9 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.894 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.19 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.821 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.9 t80 -71.8 -26.79 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.88 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.47 -49.85 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 64' ' ' LYS . 21.9 t -74.69 -42.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.134 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.509 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.2 mm? -68.26 -11.81 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.874 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 t -73.73 -12.92 60.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 62.41 110.854 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -137.23 137.16 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.18 -40.46 97.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 62.04 110.904 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.28 -49.98 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HB3' HG13 ' A' ' 58' ' ' VAL . 12.1 mtpp -63.53 -44.12 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 72.04 110.865 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HA ' HG12 ' A' ' 58' ' ' VAL . 2.8 ttt180 -63.89 -41.27 97.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.859 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -63.96 -46.06 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -60.54 -49.1 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.886 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -67.65 -29.07 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.927 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.76 -26.32 66.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 74.23 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.86 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 53.31 111.096 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -96.44 26.39 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 73.13 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.35 -172.48 35.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 73.51 112.483 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 72.42 110.882 -179.744 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 24.1 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.775 0.321 . . . . 74.21 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -70.48 175.53 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.873 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -80.45 124.61 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.22 110.946 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -88.16 143.04 27.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 30.24 111.115 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -128.54 117.99 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.89 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.73 150.22 40.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 72.15 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -103.98 169.9 8.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 64.21 110.881 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 11' ' ' ILE . 17.6 m-85 -61.81 -32.22 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.956 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -51.83 -40.82 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -75.48 -40.79 56.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 8' ' ' TYR . 57.2 mt -59.39 -21.85 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 42.12 111.159 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.793 HD13 HG23 ' A' ' 23' ' ' ILE . 16.2 mt -108.1 -16.77 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.53 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 25.43 61.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 65.54 112.491 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 m -110.93 152.58 43.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 63.14 111.108 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.5 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 63.23 112.314 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -8.65 58.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.922 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -113.68 4.83 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.541 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.32 160.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 51.11 111.075 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -107.52 159.74 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.806 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.783 ' HA ' HD12 ' A' ' 23' ' ' ILE . 17.9 mm-40 -56.13 -27.56 54.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 74.14 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -78.06 -46.49 20.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.17 -30.22 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 63.42 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 12' ' ' LEU . 16.8 mt -67.03 -32.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 65.21 111.108 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -61.98 -40.72 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.861 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -67.87 -48.14 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 75.13 110.9 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.9 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 53.31 111.122 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.84 -34.98 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 42.33 110.915 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -76.96 -47.4 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.952 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 52' ' ' LEU . 1.6 mp -75.56 -40.98 55.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 62.01 110.901 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -41.54 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.062 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -61.18 -20.12 62.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -80.99 -38.72 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 61.12 110.9 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD2' HD11 ' A' ' 52' ' ' LEU . 85.1 m-85 -102.3 21.53 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.2 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 160.63 18.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 71.44 110.835 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.65 33.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 73.44 112.301 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -78.42 -19.71 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 62.54 110.838 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -109.39 10.27 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 63.44 111.118 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.5 m-80 -91.62 13.34 18.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.856 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -40.59 93.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.883 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.67 15.02 13.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.832 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -141.86 81.32 14.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 71.1 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.67 21.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 74.25 112.358 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -94.62 -19.61 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.27 -36.51 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 64.12 111.091 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.38 -42.95 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.902 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -65.66 -37.46 86.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 64.1 110.887 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.96 -34.38 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 43.34 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 42.1 t80 -58.79 -38.86 79.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -60.86 -35.05 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.35 110.842 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.21 -29.18 69.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.956 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.538 ' CD2' HD23 ' A' ' 30' ' ' LEU . 17.2 mt -64.88 -48.51 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.884 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.07 -33.3 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.141 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.37 -50.22 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.57 -40.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.147 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.765 ' HA ' HD11 ' A' ' 12' ' ' LEU . 38.4 t80 -61.54 -28.27 69.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.943 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.66 -45.55 93.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 73.02 110.891 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG13 ' HB3' ' A' ' 64' ' ' LYS . 89.0 t -74.89 -42.22 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.108 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.757 HD22 HD12 ' A' ' 12' ' ' LEU . 3.6 mp -73.51 -8.11 54.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 70.12 110.947 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -73.53 -15.51 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.1 110.827 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.34 134.14 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.05 -42.43 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.873 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.22 -51.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HB3' HG13 ' A' ' 58' ' ' VAL . 24.4 mtpt -62.33 -46.67 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.925 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.36 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -63.0 -41.12 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 63.42 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -59.05 -41.89 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.41 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.18 -37.04 66.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.948 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.35 -26.83 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 54.14 110.884 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.32 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.073 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -105.58 26.38 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 74.5 110.929 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.52 -167.47 39.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 61.41 112.467 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 64.12 110.858 -179.727 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.812 0.339 . . . . 71.04 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.749 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 14.4 m-85 -60.17 -29.83 68.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.944 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.66 -42.15 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 75.31 110.91 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -75.57 -40.74 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.911 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.0 mt -58.98 -22.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.124 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.819 HD13 HG23 ' A' ' 23' ' ' ILE . 13.0 mt -107.77 -16.5 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.937 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 25.5 61.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 72.41 112.451 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -111.36 152.59 43.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 55.23 111.131 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.597 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.81 175.7 7.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 41.12 112.364 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -78.82 -8.92 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -114.7 5.75 15.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.934 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.597 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.31 160.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 71.44 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -107.5 161.56 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 33.33 110.875 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.8 mm100 -57.43 -27.05 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 62.11 110.895 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -78.09 -45.85 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.869 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.78 -29.84 71.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.819 HG23 HD13 ' A' ' 12' ' ' LEU . 16.5 mt -68.9 -32.75 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.41 111.128 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -70.97 -46.61 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.91 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.16 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 75.54 111.115 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -72.72 -34.84 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 72.02 110.913 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -75.35 -47.68 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -59.61 -34.09 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.899 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.9 -41.26 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.933 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.57 -39.75 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.108 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.94 -24.48 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.871 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 73.33 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.422 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 45.1 t80 -58.71 -31.95 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.02 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 t -70.21 -33.76 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.842 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.15 -29.65 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 30' ' ' LEU . 12.1 mt -64.89 -47.44 77.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.89 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.99 71.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.117 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.14 -50.31 64.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 54.11 110.905 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.749 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.67 -38.8 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 51.24 111.123 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.77 ' HA ' HD11 ' A' ' 12' ' ' LEU . 33.1 t80 -63.5 -27.15 69.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.78 -46.13 90.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.51 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 64' ' ' LYS . 29.0 t -74.73 -41.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 43.52 111.101 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.811 HD22 HD12 ' A' ' 12' ' ' LEU . 5.7 mp -73.78 -8.23 55.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.93 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t -73.6 -16.0 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 41.1 110.854 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -134.31 129.71 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.862 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.7 -41.01 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.865 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.89 -49.83 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.136 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 58' ' ' VAL . 22.1 mtpt -63.92 -42.89 97.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.899 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -64.44 -46.79 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.833 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.23 110.897 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.798 0.332 . . . . 74.51 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.766 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.0 m-85 -59.97 -27.69 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.931 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -51.8 -43.14 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 73.13 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -74.88 -41.52 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' TYR . 60.4 mt -58.04 -22.51 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 60.32 111.13 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.796 HD13 HG23 ' A' ' 23' ' ' ILE . 12.4 mt -108.4 -16.41 14.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 54.33 110.918 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.19 24.75 63.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 72.04 112.509 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -110.51 152.57 43.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 65.3 111.132 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 54.1 Cg_endo -69.7 175.51 7.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.42 112.337 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -78.82 -8.81 59.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.846 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -114.33 5.52 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.15 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.23 159.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 63.53 111.064 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.7 m -107.49 163.24 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 54.53 110.863 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 23' ' ' ILE . 7.2 mm100 -59.62 -27.53 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 71.51 110.859 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -78.1 -40.63 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 55.32 110.897 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.796 HG23 HD13 ' A' ' 12' ' ' LEU . 13.7 mt -64.84 -32.77 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.145 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -62.72 -40.3 96.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.908 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -70.24 -47.68 60.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.897 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.05 72.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 65.1 111.103 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -72.65 -34.76 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 52.52 110.912 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -74.98 -47.82 27.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.939 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -59.68 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.78 -41.35 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 63.23 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.484 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.46 -39.88 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 54.21 111.088 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -61.52 -22.26 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.877 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 74.33 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.484 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.4 t80 -61.11 -32.05 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.848 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 t -65.86 -33.22 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.92 -28.62 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.953 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 30' ' ' LEU . 16.4 mt -65.73 -48.26 72.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.04 110.934 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.0 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 41.42 111.118 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.28 -50.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.908 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.75 -39.36 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.063 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.763 ' HA ' HD11 ' A' ' 12' ' ' LEU . 34.8 t80 -62.89 -27.24 69.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.923 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.04 -45.03 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 75.42 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 64' ' ' LYS . 88.0 t -74.25 -43.23 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.41 111.18 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 12' ' ' LEU . 5.5 mp -73.24 -8.14 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 54.44 110.934 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -15.38 61.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.12 110.861 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -135.9 137.12 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 70.33 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -58.98 -42.85 90.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 t -57.77 -53.79 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.53 111.144 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB3' HG13 ' A' ' 58' ' ' VAL . 23.2 mtpt -62.57 -46.84 86.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.94 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -57.55 -48.02 80.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.857 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.916 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.786 0.327 . . . . 72.4 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.756 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.0 m-85 -61.96 -29.38 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.947 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -51.78 -44.88 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 65.44 110.92 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.11 -42.02 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 62.14 110.925 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 8' ' ' TYR . 56.2 mt -58.29 -22.47 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.109 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.932 HD13 HG23 ' A' ' 23' ' ' ILE . 12.8 mt -107.86 -17.17 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.877 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.13 60.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 51.35 112.481 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -112.33 152.86 44.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 72.11 111.126 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.6 Cg_endo -69.78 175.51 8.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 43.2 112.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -78.77 -8.78 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.884 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -113.11 3.94 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 159.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.4 111.148 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 169.65 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.894 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.587 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.6 mm100 -63.96 -26.31 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 64.54 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -77.79 -42.56 33.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.94 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.6 -32.87 74.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.91 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.932 HG23 HD13 ' A' ' 12' ' ' LEU . 18.7 mt -67.16 -33.8 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 74.55 111.107 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -61.8 -40.44 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.43 110.884 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -72.03 -48.03 47.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.894 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.14 111.151 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -72.72 -34.73 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 70.4 110.961 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -75.23 -47.74 26.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -59.58 -34.37 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.45 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.87 -41.72 64.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.52 110.937 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.71 -39.23 76.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 62.43 111.094 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -61.97 -22.37 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.04 110.928 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 55.35 110.878 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 65.42 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.2 t80 -61.42 -33.11 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -64.32 -33.21 75.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.881 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 30' ' ' LEU . 20.5 mt -61.78 -51.73 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 62.3 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.59 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.114 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 64.15 110.854 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.756 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.78 -43.9 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 51.24 111.128 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.79 ' HA ' HD11 ' A' ' 12' ' ' LEU . 41.6 t80 -57.7 -28.74 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.55 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG13 ' HB3' ' A' ' 64' ' ' LYS . 48.4 t -74.45 -44.24 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.15 111.177 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.804 HD22 HD12 ' A' ' 12' ' ' LEU . 6.0 mp -73.17 -8.18 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t -73.58 -13.68 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.85 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.0 131.43 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 73.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.916 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.84 -52.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 71.04 111.154 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HB3' HG13 ' A' ' 58' ' ' VAL . 23.0 mtpt -61.79 -46.58 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.912 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -46.78 87.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.907 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 61.42 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.3 m-85 -53.32 -36.59 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 54.11 110.936 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -51.83 -48.01 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 61.11 110.936 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -73.13 -39.49 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 62.53 110.897 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.7 mt -59.7 -23.3 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.04 111.161 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.888 HD13 HG23 ' A' ' 23' ' ' ILE . 13.6 mt -108.07 -15.55 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.927 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 27.14 58.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 52.22 112.484 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.07 152.61 45.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.657 0.742 . . . . 63.51 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.78 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 71.51 112.33 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -78.76 -8.28 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.872 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -113.52 4.0 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 60.04 110.907 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 160.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 60.3 111.101 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -107.48 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.83 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.1 mm100 -61.96 -26.59 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 72.52 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -78.09 -42.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.78 -30.64 70.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.888 HG23 HD13 ' A' ' 12' ' ' LEU . 15.6 mt -70.21 -35.91 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 111.1 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -39.03 82.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 61.13 110.903 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -73.9 -47.93 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.26 -31.28 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 51.34 111.105 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.86 -34.83 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.37 -47.48 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 63.15 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.84 -41.53 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.7 -39.81 78.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 60.22 111.115 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -61.02 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 40.42 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.858 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 72.21 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.533 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 44.0 t80 -58.69 -32.82 69.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.824 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -65.92 -35.74 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -60.87 -33.12 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 30' ' ' LEU . 20.6 mt -60.75 -48.64 80.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 74.1 110.901 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.64 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 51.03 111.129 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.5 -50.13 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 65.21 110.855 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.38 -36.84 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 53.13 111.107 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.739 ' HA ' HD11 ' A' ' 12' ' ' LEU . 30.5 t80 -66.32 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.889 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -47.02 87.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 74.3 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 64' ' ' LYS . 38.2 t -74.81 -42.65 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.786 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -71.32 -9.82 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t -73.56 -12.82 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.87 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -138.0 129.18 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.42 110.907 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -54.44 -38.75 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.83 -50.41 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 64.1 111.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.0 mtpp -61.6 -42.85 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.889 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HA ' HG12 ' A' ' 58' ' ' VAL . 71.5 ttp85 -67.15 -47.35 71.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.856 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.786 0.327 . . . . 74.31 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.731 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.8 m-85 -61.3 -29.09 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.951 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -51.86 -44.95 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.905 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -73.96 -39.2 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 72.11 110.861 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.5 mt -60.51 -23.36 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.25 111.157 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.929 HD13 HG23 ' A' ' 23' ' ' ILE . 11.4 mt -106.97 -15.53 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 24.53 63.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 61.41 112.509 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 152.69 44.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.13 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.71 175.44 8.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 74.4 112.395 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -78.85 -8.4 58.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.89 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -113.39 3.88 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.868 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 159.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.092 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.45 166.87 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 54.11 110.841 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.674 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.4 mm100 -61.68 -26.28 67.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 71.11 110.954 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -78.07 -43.25 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.45 110.834 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.77 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 65.13 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.929 HG23 HD13 ' A' ' 12' ' ' LEU . 16.7 mt -66.21 -34.46 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.24 -40.44 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.91 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.07 -47.67 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.931 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 64.24 111.093 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -72.86 -34.82 66.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.912 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -75.4 -47.53 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 73.41 110.894 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.64 -34.15 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.958 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -73.13 -41.28 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.896 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.56 -42.0 82.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 32.11 111.103 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.31 -29.64 67.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 70.34 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 mttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.884 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 75.41 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 46.5 t80 -59.54 -31.97 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 71.04 110.832 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -69.64 -32.79 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.74 -32.36 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 30' ' ' LEU . 10.4 mt -63.02 -50.21 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 55.41 110.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.2 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.095 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -64.95 -50.29 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.58 -40.35 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 52.14 111.137 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.746 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.6 t80 -61.88 -26.89 68.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 71.42 110.898 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 64' ' ' LYS . 21.9 t -74.62 -43.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.21 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.723 HD22 HD12 ' A' ' 12' ' ' LEU . 2.9 mp -70.29 -10.55 59.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.928 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 -12.06 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.847 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.85 128.53 26.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.864 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.55 -41.25 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 44.14 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.67 -51.11 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.134 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.4 mtpp -61.74 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 51.44 110.916 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' HA ' HG12 ' A' ' 58' ' ' VAL . 59.7 ttp180 -64.81 -47.92 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.881 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 74.34 110.88 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.34 . . . . 71.43 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.6 m-85 -51.86 -33.78 37.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 70.03 110.926 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -51.66 -42.59 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.44 110.887 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.54 -35.67 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 60.44 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 8' ' ' TYR . 71.9 mt -64.86 -28.75 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.134 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.812 HD11 ' HA ' ' A' ' 56' ' ' TYR . 10.2 mt -99.84 -16.48 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.928 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.07 30.29 51.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 74.15 112.476 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.55 152.48 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.722 . . . . 74.34 111.106 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.662 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.78 175.65 7.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 75.34 112.33 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -78.93 -8.92 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.21 110.848 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -115.25 6.24 14.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.881 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -57.05 160.83 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.063 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -107.51 168.81 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.824 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 23' ' ' ILE . 7.5 mm100 -62.36 -26.41 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 65.04 110.899 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.46 -42.58 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.31 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.92 -28.52 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 61.41 110.851 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 20' ' ' GLN . 17.6 mt -71.66 -35.26 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.42 111.142 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -59.47 -41.31 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.91 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.73 -48.07 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.01 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.104 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -72.52 -34.75 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.966 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -75.06 -47.91 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 74.21 110.894 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.936 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.63 -41.33 65.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.917 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.64 -40.13 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 62.05 111.095 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.29 -23.46 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.24 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 mttp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.0 110.946 179.83 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 74.31 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.483 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 42.0 t80 -58.65 -34.07 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.892 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -64.82 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.879 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -60.79 -29.4 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 63.23 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 30' ' ' LEU . 15.9 mt -64.27 -50.46 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.916 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.105 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.43 -50.05 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 65.32 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -70.98 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 74.41 111.079 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.812 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.8 t80 -70.53 -27.07 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.917 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.1 -50.17 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.21 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.618 HG13 ' HB3' ' A' ' 64' ' ' LYS . 90.6 t -74.82 -42.66 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.127 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 8' ' ' TYR . 4.2 mm? -68.08 -12.11 60.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.886 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 t -73.62 -11.43 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.851 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.32 129.52 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.12 -42.15 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.93 -50.3 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.35 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HB3' HG13 ' A' ' 58' ' ' VAL . 13.0 mtpp -63.23 -47.19 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.905 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HA ' HG12 ' A' ' 58' ' ' VAL . 42.9 ttp180 -59.92 -41.59 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 53.24 110.889 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.911 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 74.41 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.666 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.5 m-85 -54.91 -30.98 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.861 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -51.86 -43.64 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 65.42 110.952 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -75.45 -38.04 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 8' ' ' TYR . 74.7 mt -60.87 -22.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.105 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.825 HD13 HG23 ' A' ' 23' ' ' ILE . 13.5 mt -107.95 -14.63 14.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.91 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 23.51 65.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 63.21 112.533 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.6 m -110.4 152.37 43.25 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 74.31 111.136 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.76 175.28 8.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 52.43 112.369 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.79 -8.56 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.893 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -113.89 4.7 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.898 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.46 159.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 55.32 111.089 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -107.57 163.68 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.41 110.817 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.684 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.7 mm100 -59.66 -26.69 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.897 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -78.1 -40.72 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.64 -36.05 78.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 54.14 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.825 HG23 HD13 ' A' ' 12' ' ' LEU . 19.4 mt -61.27 -32.75 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.151 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.37 -40.43 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.934 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -68.1 -48.04 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.12 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -72.54 -34.66 67.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.929 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.76 -47.83 28.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.04 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -59.78 -34.73 73.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD23 HD22 ' A' ' 52' ' ' LEU . 1.1 mp -72.8 -41.35 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 54.15 110.924 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.63 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.082 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -58.29 -22.2 51.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.928 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.904 179.864 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.865 0.364 . . . . 74.11 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -59.65 -32.0 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.7 t -58.63 -32.99 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 61.31 110.894 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -67.21 -27.6 67.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 30' ' ' LEU . 20.2 mt -70.58 -50.81 33.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.92 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.9 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 60.4 111.134 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.82 -50.2 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.46 -35.79 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 62.33 111.132 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.774 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.9 t80 -67.46 -27.0 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.3 110.873 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.13 -47.19 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.23 110.824 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 65' ' ' ARG . 59.7 t -74.92 -41.39 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.777 HD22 HD12 ' A' ' 12' ' ' LEU . 4.8 mp -73.0 -8.49 55.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.939 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 t -73.61 -15.91 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.35 110.846 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 73.32 110.865 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.29 -42.98 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.893 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -49.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 71.42 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -63.29 -45.77 89.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.03 110.895 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HA ' HG12 ' A' ' 58' ' ' VAL . 60.1 ttp180 -61.04 -48.59 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.53 110.904 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.779 0.323 . . . . 62.22 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.6 m-85 -51.81 -33.48 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.897 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -51.51 -46.3 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 72.42 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.49 -39.38 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.931 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 8' ' ' TYR . 69.4 mt -60.48 -32.46 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.125 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.788 HD11 ' HA ' ' A' ' 56' ' ' TYR . 8.4 mt -95.58 -15.81 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.914 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 26.51 59.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 40.34 112.491 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -114.12 152.63 46.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.647 0.737 . . . . 50.43 111.12 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.661 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.9 Cg_endo -69.7 175.31 8.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 74.05 112.37 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -78.93 -8.35 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 61.54 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -115.03 5.65 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 53.33 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.661 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -58.34 160.34 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.43 111.121 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -107.52 173.18 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.42 110.876 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.676 ' HA ' HD12 ' A' ' 23' ' ' ILE . 9.1 mm100 -65.51 -26.37 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.906 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.77 -40.79 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.55 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -32.83 74.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 20' ' ' GLN . 21.7 mt -66.8 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 72.15 111.119 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.69 -40.98 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.889 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -73.1 -47.94 40.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.886 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.85 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.11 111.103 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.4 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 71.01 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -74.55 -48.01 29.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.971 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -59.9 -34.34 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 55.1 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.1 mp -72.79 -41.56 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 62.31 110.902 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.55 -43.2 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.55 111.12 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -57.37 -23.51 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.894 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 72.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.19 -33.49 75.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.908 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 t -59.12 -35.2 73.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.904 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.75 -27.11 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 30' ' ' LEU . 41.2 mt -65.66 -51.22 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 65.43 110.921 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.77 82.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 44.52 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -60.75 -49.97 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 54.43 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.03 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.04 111.146 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.788 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.9 t80 -70.77 -26.75 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.923 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.09 -50.07 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 74.3 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.701 HG13 ' HB3' ' A' ' 64' ' ' LYS . 22.0 t -74.86 -41.9 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.05 111.12 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD13 ' HG3' ' A' ' 65' ' ' ARG . 4.2 mm? -69.26 -11.2 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -73.64 -13.55 61.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.53 110.889 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.72 139.96 40.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 31.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.97 -37.16 85.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.6 -49.5 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.701 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.8 mtpp -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.89 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.498 ' HG3' HD13 ' A' ' 59' ' ' LEU . 3.7 ttt180 -63.79 -41.52 97.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.903 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 75.44 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 17.3 m-85 -66.87 -27.2 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.916 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -51.84 -46.25 64.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.507 . . . . 75.34 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -74.21 -38.14 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.04 110.907 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' TYR . 71.6 mt -60.96 -20.73 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.815 HD13 HG23 ' A' ' 23' ' ' ILE . 10.2 mt -110.7 -14.48 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.893 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.46 65.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 73.1 112.493 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -110.85 152.56 43.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 75.12 111.107 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.78 174.88 8.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 74.43 112.348 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -78.05 -8.83 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.89 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -114.5 5.6 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 64.52 110.884 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.594 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.41 158.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.067 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.5 160.64 15.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.841 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 10.3 mm100 -55.65 -26.3 43.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.902 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.87 -49.18 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -61.52 -36.65 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.84 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.815 HG23 HD13 ' A' ' 12' ' ' LEU . 19.0 mt -59.56 -32.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.15 111.15 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.866 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.44 -47.73 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 72.51 110.899 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 12' ' ' LEU . . . -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 62.24 111.12 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -72.9 -34.8 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.935 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -75.55 -47.47 26.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.925 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -59.53 -34.38 72.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 52' ' ' LEU . 1.3 mp -73.2 -41.46 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.61 -38.72 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 62.54 111.048 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -62.89 -23.18 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 70.52 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.897 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.808 0.337 . . . . 73.24 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.46 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 40.7 t80 -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -65.75 -33.71 76.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.861 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -61.98 -34.25 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.35 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 30' ' ' LEU . 16.9 mt -59.99 -47.92 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.893 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.26 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.122 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.5 -50.18 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 60.13 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.615 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.47 -34.21 69.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 64.23 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.754 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.5 t80 -72.54 -26.83 61.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.21 110.937 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.72 -50.02 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.885 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG13 ' HB3' ' A' ' 64' ' ' LYS . 24.4 t -74.85 -38.62 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.53 111.121 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.773 HD22 HD12 ' A' ' 12' ' ' LEU . 5.3 mp -73.79 -7.66 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 55.23 110.934 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 t -73.62 -17.78 61.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.64 139.84 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.891 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -61.81 -41.86 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.884 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.57 -54.01 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 73.34 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HB3' HG13 ' A' ' 58' ' ' VAL . 53.0 mtmt -63.65 -47.08 82.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.876 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -57.3 -41.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 72.02 110.881 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.902 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.859 0.361 . . . . 70.43 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.688 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.6 m-85 -56.37 -31.89 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.91 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -52.0 -44.01 63.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.918 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -75.25 -37.72 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 65.44 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 8' ' ' TYR . 75.4 mt -61.38 -24.36 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 72.43 111.105 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.901 HD13 HG23 ' A' ' 23' ' ' ILE . 12.8 mt -105.98 -14.42 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 63.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.42 65.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.488 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -110.65 152.55 43.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 75.44 111.149 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 54.3 Cg_endo -69.69 175.23 8.32 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 71.43 112.4 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -78.55 -8.67 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 71.21 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.5 5.52 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 71.12 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.3 160.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 45.24 111.086 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 m -107.47 162.08 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 53.11 110.878 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.5 mm100 -57.18 -26.3 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.943 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -47.62 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.894 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.65 -29.03 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.05 110.857 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.901 HG23 HD13 ' A' ' 12' ' ' LEU . 16.7 mt -70.72 -36.19 63.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -60.59 -40.2 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.51 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -72.49 -48.04 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.08 -31.19 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 64.14 111.079 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.86 -34.76 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 63.54 110.919 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -75.4 -47.5 27.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 62.34 110.918 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -59.59 -34.41 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.874 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.97 -41.49 64.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.91 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.515 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.63 -40.54 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.115 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.16 -24.51 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.869 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.81 0.338 . . . . 72.21 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.3 t80 -58.73 -36.39 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 63.32 110.85 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -62.5 -34.43 76.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.85 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -61.51 -32.9 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.01 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 30' ' ' LEU . 19.4 mt -60.92 -49.61 76.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.87 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.6 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 55.32 111.124 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.51 -50.01 71.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 63.41 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.2 -36.98 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 65.44 111.07 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.4 t80 -68.32 -26.58 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.905 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -49.92 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.86 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 64' ' ' LYS . 22.1 t -74.62 -39.28 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 111.123 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.765 HD22 HD12 ' A' ' 12' ' ' LEU . 5.1 mp -72.99 -7.8 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -73.37 -16.68 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 62.02 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -134.17 137.7 44.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 70.32 110.859 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.79 -42.93 94.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 53.54 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.2 t -57.8 -54.02 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 72.2 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.664 ' HB3' HG13 ' A' ' 58' ' ' VAL . 50.9 mtmt -64.06 -46.88 82.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -57.32 -41.1 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.893 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 70.44 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.729 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.2 m-85 -65.06 -26.99 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 74.22 110.892 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -51.91 -45.38 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 63.04 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -73.2 -41.17 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 65.33 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 8' ' ' TYR . 63.9 mt -57.89 -22.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 64.5 111.145 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.897 HD13 HG23 ' A' ' 23' ' ' ILE . 12.4 mt -108.73 -16.25 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.94 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.28 24.79 62.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 62.04 112.501 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.53 152.79 43.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 70.24 111.118 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.74 175.55 7.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 74.12 112.351 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -78.86 -8.66 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -112.72 3.53 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.39 159.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.098 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -107.47 170.33 8.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 52.24 110.87 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.589 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.0 mm100 -64.57 -26.39 68.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 70.43 110.893 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.64 -40.33 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -68.8 -34.98 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.888 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.897 HG23 HD13 ' A' ' 12' ' ' LEU . 16.9 mt -65.33 -34.96 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.31 111.131 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -60.99 -40.49 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.917 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -72.03 -48.08 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 73.14 110.914 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -72.7 -34.8 67.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.958 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -75.49 -47.65 26.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 72.31 110.91 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -59.49 -33.99 72.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.931 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 52' ' ' LEU . 1.5 mp -73.28 -41.69 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.93 -32.58 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.03 111.095 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.07 -17.6 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 53.54 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.54 110.867 179.888 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 61.15 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 38.1 t80 -65.36 -37.22 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.89 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -62.16 -32.94 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.81 -26.91 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 62.55 110.888 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 30' ' ' LEU . 23.9 mt -68.12 -48.02 66.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.918 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.07 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.102 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -64.65 -50.31 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 70.21 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.63 -41.81 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 61.14 111.111 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.773 ' HA ' HD11 ' A' ' 12' ' ' LEU . 34.3 t80 -60.24 -27.03 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 72.11 110.882 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.46 -44.24 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 71.13 111.146 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -72.7 -8.46 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 64.22 110.937 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 t -73.65 -13.74 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.841 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.79 129.72 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -53.51 -42.29 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.872 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.4 -53.07 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 50.22 111.098 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.22 -44.6 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -45.62 94.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 70.02 110.907 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.875 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.837 0.351 . . . . 50.32 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.688 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 9.9 m-85 -58.06 -27.37 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.93 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -54.89 -47.7 73.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.34 -31.88 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 62.23 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 78.4 mt -65.69 -23.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.148 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 59' ' ' LEU . 13.0 mt -111.0 -15.68 13.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 61.24 110.93 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.15 39.6 22.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 63.02 112.495 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.22 152.49 67.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 65.43 111.124 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.74 174.26 9.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 61.32 112.343 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -78.73 -7.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 65.02 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -115.27 5.91 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 65.45 110.88 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.3 159.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.04 111.088 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -107.5 157.31 18.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.854 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -54.71 -27.15 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 72.25 110.894 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -78.05 -40.92 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.39 -36.43 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.835 HD13 ' HB3' ' A' ' 59' ' ' LEU . 83.1 mt -63.77 -32.83 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 71.44 111.165 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -63.14 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 72.4 110.945 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -69.85 -47.02 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.89 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.01 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.45 111.142 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.56 -34.77 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.955 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -74.92 -47.79 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 64.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.62 -41.46 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.939 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -39.55 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 54.04 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.12 -21.06 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 54.14 110.884 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 75.31 110.884 179.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.333 . . . . 72.31 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.6 t80 -59.14 -32.01 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.855 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -65.84 -34.27 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.858 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -62.15 -33.36 74.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 73.51 110.928 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 30' ' ' LEU . 15.2 mt -60.16 -45.74 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 55.53 110.898 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.5 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.128 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.45 -50.48 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.82 -38.96 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.15 111.125 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.692 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.4 t80 -63.21 -26.9 69.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.926 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.59 -46.27 90.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 65' ' ' ARG . 67.6 t -74.83 -41.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.02 111.151 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 12' ' ' LEU . 29.5 mt -74.21 -7.69 53.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 70.22 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 t -74.37 -15.61 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.808 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 134.49 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.03 -39.01 80.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.88 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.67 -53.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 44.34 111.162 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HA ' HG12 ' A' ' 58' ' ' VAL . 14.7 ttt-85 -64.23 -45.7 87.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 70.55 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.875 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.854 0.359 . . . . 71.51 110.825 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.681 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.3 m-85 -59.8 -28.07 67.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.893 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -51.93 -45.27 64.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 75.34 110.92 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -72.86 -41.77 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 8' ' ' TYR . 63.7 mt -57.75 -22.92 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.098 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.879 HD13 HG23 ' A' ' 23' ' ' ILE . 11.5 mt -107.77 -15.94 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 71.45 110.901 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.71 65.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.458 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.9 152.75 43.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 44.4 111.151 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.81 175.46 8.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 71.42 112.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -78.87 -8.59 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -111.73 2.52 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.855 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.36 158.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 23.3 111.089 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -107.53 170.58 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.869 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.622 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.6 mm100 -63.95 -26.34 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -76.43 -43.91 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 64.44 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.847 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.879 HG23 HD13 ' A' ' 12' ' ' LEU . 17.9 mt -59.59 -34.5 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 70.43 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -61.66 -40.28 94.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 61.41 110.915 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -71.71 -48.07 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.15 110.89 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 53.13 111.119 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.22 110.94 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.52 -47.4 27.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 75.11 110.922 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.59 -33.61 71.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 71.3 110.833 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' ' 52' ' ' LEU . 2.0 mp -74.92 -41.61 59.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.927 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.75 -32.58 67.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.1 111.103 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -73.38 -26.94 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.84 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.893 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.844 0.354 . . . . 40.42 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -64.96 -40.82 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.909 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -60.28 -33.32 72.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.73 -27.49 67.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' LEU . 13.6 mt -66.82 -48.31 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 60.42 110.93 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.78 70.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.52 111.132 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -67.36 -50.24 60.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 22.4 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.59 -37.87 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 65.22 111.08 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.766 ' HA ' HD11 ' A' ' 12' ' ' LEU . 33.9 t80 -64.81 -27.05 68.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.898 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 64' ' ' LYS . 33.7 t -74.56 -43.73 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.178 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.712 HD22 HD12 ' A' ' 12' ' ' LEU . 4.8 mp -72.98 -8.4 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.898 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.56 -14.35 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.886 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -138.37 132.56 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.877 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.57 -41.8 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.888 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.52 -53.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 52.41 111.144 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HB3' HG13 ' A' ' 58' ' ' VAL . 21.4 mtpt -62.35 -45.83 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 44.42 110.907 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -59.05 -45.76 89.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.843 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.947 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.832 0.349 . . . . 70.04 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.719 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 9.4 m-85 -58.17 -32.37 68.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 73.35 110.942 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -52.22 -46.37 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.04 110.927 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -73.21 -39.93 65.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 71.3 110.879 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.2 mt -59.56 -24.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.172 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.909 HD13 HG23 ' A' ' 23' ' ' ILE . 12.6 mt -105.58 -14.88 15.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.867 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.73 65.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 64.11 112.505 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -111.44 152.87 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 73.22 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.566 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.81 175.32 8.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.257 . . . . 63.45 112.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -78.8 -8.38 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.3 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -113.59 4.16 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.52 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.33 159.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 p -107.48 168.63 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.1 mm100 -63.37 -26.33 68.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.898 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -40.51 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.05 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.62 -35.39 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 75.11 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.909 HG23 HD13 ' A' ' 12' ' ' LEU . 15.6 mt -63.3 -34.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 45.15 111.079 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -63.08 -39.35 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 51.32 110.882 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -68.92 -48.02 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.939 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.92 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.22 111.086 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -71.86 -34.52 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -73.65 -48.15 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 72.5 110.914 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.83 -33.87 73.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.525 HD23 HD22 ' A' ' 52' ' ' LEU . 1.2 mp -73.04 -41.78 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 64.22 110.942 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.81 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.11 111.076 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 72.5 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.41 -32.34 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 70.45 110.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -59.75 -32.75 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.858 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.98 -29.0 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 64.54 110.86 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD22 HD23 ' A' ' 30' ' ' LEU . 14.2 mt -70.01 -52.13 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 52.04 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.073 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.28 -49.93 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.865 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.719 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.41 -36.49 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.08 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.752 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.8 t80 -68.19 -27.01 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 74.11 110.924 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.41 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 62.42 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 65' ' ' ARG . 44.6 t -74.72 -42.58 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 31.42 111.131 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 12' ' ' LEU . 3.9 mp -69.65 -11.0 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.92 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 t -73.57 -11.99 60.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 64.03 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -136.84 128.42 28.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 73.01 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -55.46 -43.17 75.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.893 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.16 -48.33 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 70.54 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -62.28 -47.41 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.849 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.575 ' HA ' HG12 ' A' ' 58' ' ' VAL . 32.7 ttp180 -59.74 -47.86 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.836 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.21 110.912 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.327 . . . . 71.12 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.687 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.4 m-85 -57.22 -25.94 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.918 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -56.56 -47.82 78.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.15 110.94 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.56 -30.06 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 64.53 110.927 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 8' ' ' TYR . 79.5 mt -66.8 -23.01 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 62.14 111.135 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 59' ' ' LEU . 13.6 mt -111.31 -15.0 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 63.01 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 40.78 18.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 65.52 112.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 m -126.03 152.62 73.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 60.43 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.0 Cg_endo -69.86 174.88 8.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.24 . . . . 73.33 112.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -78.83 -8.03 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.898 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -114.8 5.2 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.53 110.874 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.564 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.43 159.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.2 111.1 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p -107.51 158.0 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -52.98 -28.44 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -75.25 -49.87 17.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.885 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.52 -33.83 74.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.817 HD13 ' HB3' ' A' ' 59' ' ' LEU . 86.1 mt -67.8 -32.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 72.32 111.168 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -63.67 -38.69 92.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.879 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.85 -46.89 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.9 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.55 111.136 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.72 -34.76 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.911 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.08 -47.74 27.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.7 -34.15 72.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 74.14 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.94 -40.89 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.31 -45.42 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.21 111.114 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -56.84 -24.76 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 62.0 110.931 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.833 0.349 . . . . 71.25 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.7 t80 -59.15 -32.12 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -65.8 -33.38 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -62.39 -33.74 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 63.4 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' LEU . 13.2 mt -60.36 -47.88 84.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 51.24 110.908 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.74 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 51.52 111.107 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.39 -50.38 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.687 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.88 -39.36 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 42.43 111.137 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.702 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.4 t80 -62.68 -26.86 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.938 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.46 -46.66 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 65.3 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 65' ' ' ARG . 28.0 t -75.0 -40.73 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.24 111.149 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 12' ' ' LEU . 30.0 mt -74.27 -7.89 54.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.91 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 t -73.74 -17.01 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 130.22 28.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 55.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.41 -38.71 71.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.42 -51.1 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.113 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -63.01 -45.05 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 63.32 110.92 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HA ' HG12 ' A' ' 58' ' ' VAL . 43.9 ttp180 -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.912 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.895 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 61.34 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.699 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.2 m-85 -57.05 -25.76 59.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.927 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -56.76 -48.17 78.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 62.33 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.82 -31.15 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 74.02 110.886 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 8' ' ' TYR . 75.2 mt -65.38 -22.94 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 73.44 111.119 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.997 HD12 HD12 ' A' ' 59' ' ' LEU . 14.7 mt -111.49 -15.08 13.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.937 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.26 40.93 18.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 54.51 112.501 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.14 152.43 73.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 72.31 111.168 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.9 Cg_endo -69.71 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 65.12 112.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -78.82 -8.01 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.872 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -115.21 6.18 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.542 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.22 161.34 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.54 111.089 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -107.62 155.29 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 60.44 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -53.02 -28.65 25.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -77.96 -40.85 38.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -69.6 -30.14 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.837 HD13 ' HB3' ' A' ' 59' ' ' LEU . 88.7 mt -71.25 -32.67 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.33 111.099 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -62.86 -39.95 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.885 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -70.09 -45.09 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.927 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.0 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 62.01 111.105 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -72.82 -34.68 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.943 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -75.24 -47.61 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 65.4 110.926 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -59.62 -34.58 72.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.86 -41.37 64.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.458 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -39.42 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.08 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.93 -20.24 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 63.34 110.916 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.871 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.857 0.361 . . . . 73.45 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.458 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.3 t80 -59.45 -32.56 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 62.52 110.907 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -64.79 -32.85 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.862 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.7 -32.93 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 61.24 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 30' ' ' LEU . 18.4 mt -60.06 -46.28 90.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.872 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.93 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 41.25 111.079 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.97 -50.31 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.911 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.85 -39.73 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 60.1 111.091 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.69 ' HA ' HD11 ' A' ' 12' ' ' LEU . 24.2 t80 -62.4 -27.02 68.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.927 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.62 -46.69 88.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 55.32 110.917 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 65' ' ' ARG . 59.2 t -74.84 -40.79 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 71.22 111.111 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.997 HD12 HD12 ' A' ' 12' ' ' LEU . 28.8 mt -74.22 -7.88 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.44 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -15.35 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 53.13 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.96 138.06 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.915 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.32 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.854 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.09 -50.24 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -62.74 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.44 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 58' ' ' VAL . 29.8 ttp180 -65.76 -48.27 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 70.11 110.886 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.361 . . . . 64.42 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.717 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.6 m-85 -55.62 -29.43 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.931 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -52.52 -48.83 65.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 61.24 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -73.83 -32.09 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 8' ' ' TYR . 74.4 mt -63.73 -23.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.085 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.986 HD12 HD12 ' A' ' 59' ' ' LEU . 16.6 mt -111.47 -14.47 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 63.4 110.932 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.31 39.92 21.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 40.54 112.454 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.74 152.41 69.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 54.34 111.136 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.0 Cg_endo -69.75 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 73.54 112.326 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -78.89 -7.28 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 71.03 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -111.42 1.66 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.38 158.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 55.3 111.124 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -107.48 159.7 16.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 42.54 110.846 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -54.2 -27.29 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.05 110.869 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -49.84 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 71.42 110.928 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.76 -35.92 79.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.875 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.847 HD13 ' HB3' ' A' ' 59' ' ' LEU . 88.8 mt -65.53 -32.86 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 62.24 111.125 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.98 -40.26 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.881 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.25 -47.61 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 70.53 110.866 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.74 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 61.23 111.109 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -72.51 -34.82 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 62.34 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -74.81 -47.81 28.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.973 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.61 -34.82 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 72.43 110.956 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -72.88 -41.42 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 71.34 110.93 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.05 82.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.065 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -57.3 -23.4 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 71.42 110.922 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.14 110.89 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 74.03 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -58.77 -33.61 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -59.06 -32.83 70.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 70.11 110.874 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -65.09 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.68 HD22 HD23 ' A' ' 30' ' ' LEU . 15.3 mt -65.36 -53.07 48.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.79 -50.23 74.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.902 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.717 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.59 -42.91 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.12 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.579 ' HA ' HD11 ' A' ' 12' ' ' LEU . 18.3 t80 -59.3 -26.91 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.94 -48.7 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.905 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 65' ' ' ARG . 22.4 t -74.89 -39.23 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.095 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.986 HD12 HD12 ' A' ' 12' ' ' LEU . 34.9 mt -74.31 -7.88 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.936 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -75.12 -16.15 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.05 132.21 31.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.05 -43.89 78.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.76 -50.8 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.133 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -62.54 -46.55 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.41 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.652 ' HA ' HG12 ' A' ' 58' ' ' VAL . 31.9 ttp180 -60.57 -43.76 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.861 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.941 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 64.41 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.726 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 16.1 m-85 -60.12 -25.3 65.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.936 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -51.86 -49.01 63.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -70.09 -41.53 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.7 mt -58.23 -22.72 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.132 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.935 HD13 HG23 ' A' ' 23' ' ' ILE . 8.8 mt -107.66 -15.45 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.922 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.61 65.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 52.23 112.486 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.79 152.52 43.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 50.22 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.571 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.81 175.74 7.74 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 71.01 112.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mmm-85 -78.78 -8.85 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 51.41 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -111.81 2.4 17.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.55 156.78 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 52.22 111.117 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -107.47 168.9 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.871 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.685 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.9 mm100 -60.57 -26.34 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.926 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -75.52 -47.27 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.922 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.03 -38.83 92.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 64.35 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.935 HG23 HD13 ' A' ' 12' ' ' LEU . 17.7 mt -59.33 -35.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.33 111.153 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.917 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -72.33 -47.88 46.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.883 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 63.34 111.09 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.68 -34.67 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 71.45 110.919 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -75.41 -47.73 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -59.59 -34.16 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.95 -41.73 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.943 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.72 -38.93 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 63.31 111.078 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -62.46 -23.06 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.874 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 51.43 110.916 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.445 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.9 t80 -59.18 -33.92 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.907 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -64.02 -33.64 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.53 110.872 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.65 -30.56 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 52.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 30' ' ' LEU . 17.3 mt -63.37 -52.8 60.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.901 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 35.2 111.1 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.96 -50.18 69.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.726 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.47 -39.49 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 63.34 111.115 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.729 ' HA ' HD11 ' A' ' 12' ' ' LEU . 23.1 t80 -66.93 -26.92 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 65.34 110.893 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.66 -49.98 75.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.22 110.826 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.691 HG13 ' HB3' ' A' ' 64' ' ' LYS . 77.3 t -74.15 -38.9 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 63.34 111.107 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 12' ' ' LEU . 3.9 mp -73.49 -7.5 52.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 54.35 110.89 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -73.75 -17.13 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -131.77 141.44 49.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 52.42 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.2 -38.74 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 63.1 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.88 -54.06 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 51.53 111.13 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.691 ' HB3' HG13 ' A' ' 58' ' ' VAL . 30.2 mtmm -62.87 -46.71 86.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -56.91 -41.95 79.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.85 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 74.42 110.89 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 60.12 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.9 m-85 -51.89 -35.45 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.908 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -51.24 -48.52 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.957 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.9 -40.39 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.5 110.924 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.2 mt -59.14 -33.29 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.146 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.821 HD11 ' HA ' ' A' ' 56' ' ' TYR . 8.0 mt -94.38 -15.56 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.15 62.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 73.33 112.519 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.07 152.7 44.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 72.13 111.183 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.663 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.77 175.63 7.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 70.51 112.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -9.11 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.55 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -115.16 6.72 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 65.33 110.9 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -57.98 160.79 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 52.43 111.09 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.63 171.62 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.636 ' HA ' HD12 ' A' ' 23' ' ' ILE . 9.7 mm100 -64.34 -26.32 68.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.21 -41.25 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 61.34 110.874 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -66.66 -28.76 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 20' ' ' GLN . 23.1 mt -72.26 -34.37 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.46 -41.22 93.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.87 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -74.05 -48.0 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.79 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.119 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.23 -34.68 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.41 -48.26 28.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 72.43 110.874 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.79 -34.48 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 71.34 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.86 -41.76 64.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.917 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.97 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.21 111.107 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -57.94 -22.5 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 71.13 110.925 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.875 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.807 0.336 . . . . 74.1 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.29 -32.86 74.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.7 t -58.49 -36.06 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 30.23 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -64.71 -27.4 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 30' ' ' LEU . 38.8 mt -66.22 -52.86 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 61.23 110.916 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.53 85.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.109 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.95 -47.9 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.894 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.19 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.821 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.9 t80 -71.8 -26.79 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.88 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.47 -49.85 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 64' ' ' LYS . 21.9 t -74.69 -42.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.134 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.509 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.2 mm? -68.26 -11.81 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.874 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 t -73.73 -12.92 60.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 62.41 110.854 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -137.23 137.16 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.18 -40.46 97.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 62.04 110.904 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.28 -49.98 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HB3' HG13 ' A' ' 58' ' ' VAL . 12.1 mtpp -63.53 -44.12 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 72.04 110.865 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HA ' HG12 ' A' ' 58' ' ' VAL . 2.8 ttt180 -63.89 -41.27 97.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.859 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.869 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 64.21 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 11' ' ' ILE . 17.6 m-85 -61.81 -32.22 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.956 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -51.83 -40.82 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -75.48 -40.79 56.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 8' ' ' TYR . 57.2 mt -59.39 -21.85 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 42.12 111.159 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.793 HD13 HG23 ' A' ' 23' ' ' ILE . 16.2 mt -108.1 -16.77 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.53 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 25.43 61.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 65.54 112.491 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 m -110.93 152.58 43.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 63.14 111.108 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.5 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 63.23 112.314 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -8.65 58.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.922 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -113.68 4.83 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.541 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.32 160.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 51.11 111.075 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -107.52 159.74 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.806 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.783 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.0 mm100 -56.13 -27.56 54.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 74.14 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -78.06 -46.49 20.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.17 -30.22 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 63.42 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 12' ' ' LEU . 16.8 mt -67.03 -32.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 65.21 111.108 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -61.98 -40.72 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.861 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -67.87 -48.14 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 75.13 110.9 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.9 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 53.31 111.122 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.84 -34.98 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 42.33 110.915 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -76.96 -47.4 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.952 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 52' ' ' LEU . 1.6 mp -75.56 -40.98 55.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 62.01 110.901 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -41.54 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.062 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -61.18 -20.12 62.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 61.12 110.9 179.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.791 0.329 . . . . 43.34 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 42.1 t80 -58.79 -38.86 79.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -60.86 -35.05 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.35 110.842 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.21 -29.18 69.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.956 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.538 ' CD2' HD23 ' A' ' 30' ' ' LEU . 17.2 mt -64.88 -48.51 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.884 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.07 -33.3 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.141 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.37 -50.22 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.57 -40.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.147 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.765 ' HA ' HD11 ' A' ' 12' ' ' LEU . 38.4 t80 -61.54 -28.27 69.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.943 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.66 -45.55 93.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 73.02 110.891 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG13 ' HB3' ' A' ' 64' ' ' LYS . 89.0 t -74.89 -42.22 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.108 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.757 HD22 HD12 ' A' ' 12' ' ' LEU . 3.6 mp -73.51 -8.11 54.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 70.12 110.947 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -73.53 -15.51 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.1 110.827 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.34 134.14 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.05 -42.43 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.873 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.22 -51.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HB3' HG13 ' A' ' 58' ' ' VAL . 24.4 mtpt -62.33 -46.67 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.925 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.36 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 63.42 110.909 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.8 p80 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.758 0.314 . . . . 72.12 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 21.2 ptm -94.01 169.38 10.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.889 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -80.41 155.86 26.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.892 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.76 160.92 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.33 111.119 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -103.64 81.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -88.91 169.66 11.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 41.3 110.913 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -109.55 164.95 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 71.04 110.883 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.749 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 14.4 m-85 -60.17 -29.83 68.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.944 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -51.66 -42.15 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 75.31 110.91 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -75.57 -40.74 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.911 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.0 mt -58.98 -22.75 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.124 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.819 HD13 HG23 ' A' ' 23' ' ' ILE . 13.0 mt -107.77 -16.5 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.937 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 25.5 61.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 72.41 112.451 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -111.36 152.59 43.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 55.23 111.131 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.597 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.81 175.7 7.79 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 41.12 112.364 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -78.82 -8.92 59.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.15 110.843 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -114.7 5.75 15.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.934 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.597 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.31 160.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 71.44 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 m -107.5 161.56 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 33.33 110.875 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.8 mm100 -57.43 -27.05 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 62.11 110.895 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -78.09 -45.85 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.869 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.78 -29.84 71.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.858 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.819 HG23 HD13 ' A' ' 12' ' ' LEU . 16.5 mt -68.9 -32.75 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.41 111.128 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -63.05 -40.05 96.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -70.97 -46.61 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.91 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.16 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 75.54 111.115 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -72.72 -34.84 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 72.02 110.913 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -75.35 -47.68 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.907 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -59.61 -34.09 72.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.899 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.9 -41.26 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.44 110.933 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.57 -39.75 77.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 74.42 111.108 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -61.94 -24.48 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -77.93 -35.85 50.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.502 ' CD2' HD11 ' A' ' 52' ' ' LEU . 90.3 m-85 -103.37 24.66 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.916 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.9 160.46 73.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.581 0.705 . . . . 74.2 110.867 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.234 . . . . 74.42 112.385 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.26 -22.74 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -105.63 3.6 29.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.214 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.546 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -81.35 -0.76 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 64.4 110.88 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -40.35 60.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.92 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.5 17.73 13.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 52.11 110.863 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -148.56 80.88 8.13 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.634 0.73 . . . . 72.53 110.872 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 62.34 112.35 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -95.51 -18.71 20.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.872 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.26 -34.01 66.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.4 111.109 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -57.21 -41.73 80.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.877 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -64.32 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -71.13 -35.01 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.918 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.422 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 45.1 t80 -58.71 -31.95 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.02 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 t -70.21 -33.76 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.33 110.842 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.15 -29.65 69.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 34' ' ' TYR . 12.1 mt -64.89 -47.44 77.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.89 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.99 71.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.117 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.14 -50.31 64.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 54.11 110.905 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.749 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.67 -38.8 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 51.24 111.123 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.77 ' HA ' HD11 ' A' ' 12' ' ' LEU . 33.1 t80 -63.5 -27.15 69.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.78 -46.13 90.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.51 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 64' ' ' LYS . 29.0 t -74.73 -41.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 43.52 111.101 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.811 HD22 HD12 ' A' ' 12' ' ' LEU . 5.7 mp -73.78 -8.23 55.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.93 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t -73.6 -16.0 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 41.1 110.854 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -134.31 129.71 35.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.862 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.7 -41.01 63.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.865 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.89 -49.83 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.136 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 58' ' ' VAL . 22.1 mtpt -63.92 -42.89 97.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.899 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -64.44 -46.79 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.833 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -65.81 -44.89 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 62.23 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -58.97 -41.51 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.92 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.898 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.14 -28.56 68.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.868 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.107 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.06 26.16 6.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.928 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.52 174.03 30.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 63.41 112.493 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 55.01 110.843 -179.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 44.8 m80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 73.13 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -102.16 117.7 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.24 110.865 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 116.68 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 161.21 27.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 64.32 111.132 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -52.66 163.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -114.23 133.61 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 63.2 110.882 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.76 150.13 26.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.51 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.766 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.0 m-85 -59.97 -27.69 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.931 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -51.8 -43.14 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 73.13 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -74.88 -41.52 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 72.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' TYR . 60.4 mt -58.04 -22.51 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 60.32 111.13 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.796 HD13 HG23 ' A' ' 23' ' ' ILE . 12.4 mt -108.4 -16.41 14.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 54.33 110.918 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.19 24.75 63.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 72.04 112.509 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -110.51 152.57 43.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 65.3 111.132 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 54.1 Cg_endo -69.7 175.51 7.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.42 112.337 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -78.82 -8.81 59.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.21 110.846 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -114.33 5.52 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.15 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.23 159.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 63.53 111.064 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.7 m -107.49 163.24 13.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 54.53 110.863 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 23' ' ' ILE . 7.2 mm100 -59.62 -27.53 66.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 71.51 110.859 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -78.1 -40.63 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 55.32 110.897 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -68.83 -33.47 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.796 HG23 HD13 ' A' ' 12' ' ' LEU . 13.7 mt -64.84 -32.77 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.145 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -62.72 -40.3 96.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.908 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -70.24 -47.68 60.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.897 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.72 -31.05 72.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 65.1 111.103 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -72.65 -34.76 67.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 52.52 110.912 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -74.98 -47.82 27.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.939 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -59.68 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.78 -41.35 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 63.23 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.484 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.46 -39.88 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 54.21 111.088 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -61.52 -22.26 64.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -79.07 -35.8 41.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.877 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' HD11 ' A' ' 52' ' ' LEU . 79.6 m-85 -105.97 24.51 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 65.32 110.94 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.06 160.5 56.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 62.35 110.843 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.14 32.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.643 2.229 . . . . 63.24 112.374 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' OD1' HG23 ' A' ' 38' ' ' THR . 1.2 p-10 -77.92 -22.34 49.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 63.41 110.879 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.51 HG23 ' OD1' ' A' ' 37' ' ' ASP . 16.9 p -104.55 1.92 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 64.04 111.111 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.535 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -79.92 -2.48 43.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 60.1 110.906 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -40.42 60.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.47 17.87 13.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -148.21 80.89 8.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 72.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -7.67 21.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.721 2.281 . . . . 64.42 112.324 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -95.54 -18.37 20.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.869 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.535 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.26 -35.08 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.11 111.093 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.43 -40.4 78.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.832 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.15 -40.13 90.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 71.4 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.64 -34.36 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.484 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.4 t80 -61.11 -32.05 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.848 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 t -65.86 -33.22 75.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.858 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.92 -28.62 69.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 73.44 110.953 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 34' ' ' TYR . 16.4 mt -65.73 -48.26 72.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 72.04 110.934 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.48 -33.0 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 41.42 111.118 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.28 -50.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.908 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.75 -39.36 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.063 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.763 ' HA ' HD11 ' A' ' 12' ' ' LEU . 34.8 t80 -62.89 -27.24 69.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.923 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.04 -45.03 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 75.42 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 64' ' ' LYS . 88.0 t -74.25 -43.23 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.41 111.18 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 12' ' ' LEU . 5.5 mp -73.24 -8.14 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 54.44 110.934 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.45 -15.38 61.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 61.12 110.861 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -135.9 137.12 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 70.33 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -58.98 -42.85 90.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.5 t -57.77 -53.79 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.53 111.144 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HB3' HG13 ' A' ' 58' ' ' VAL . 23.2 mtpt -62.57 -46.84 86.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.94 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -57.55 -48.02 80.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.857 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -65.29 -43.64 90.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.916 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -58.92 -35.19 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.955 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -73.02 -37.97 66.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.05 110.948 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 -30.02 70.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 73.31 110.846 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.42 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.131 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -107.19 26.26 10.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.905 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.32 -175.52 27.49 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.73 -0.748 . . . . 44.45 112.43 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 65.3 110.874 -179.751 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.808 0.337 . . . . 71.01 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.5 mtt -139.34 138.42 36.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 64.55 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.97 145.62 49.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 73.43 110.918 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.9 156.31 37.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.31 111.054 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -104.23 149.9 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.03 110.929 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -110.89 150.88 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 65.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.12 161.16 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 72.4 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.756 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.0 m-85 -61.96 -29.38 70.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.947 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -51.78 -44.88 63.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 65.44 110.92 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -73.11 -42.02 63.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 62.14 110.925 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 8' ' ' TYR . 56.2 mt -58.29 -22.47 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.35 111.109 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.932 HD13 HG23 ' A' ' 23' ' ' ILE . 12.8 mt -107.86 -17.17 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.877 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 26.13 60.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 51.35 112.481 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -112.33 152.86 44.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 72.11 111.126 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.6 Cg_endo -69.78 175.51 8.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 43.2 112.331 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -78.77 -8.78 59.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.884 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -113.11 3.94 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 159.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.4 111.148 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.52 169.65 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.894 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.587 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.6 mm100 -63.96 -26.31 68.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 64.54 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -77.79 -42.56 33.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.94 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.6 -32.87 74.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.91 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.932 HG23 HD13 ' A' ' 12' ' ' LEU . 18.7 mt -67.16 -33.8 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 74.55 111.107 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -61.8 -40.44 95.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.43 110.884 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -72.03 -48.03 47.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.894 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.14 111.151 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -72.72 -34.73 67.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 70.4 110.961 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -75.23 -47.74 26.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -59.58 -34.37 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.45 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.87 -41.72 64.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.52 110.937 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.71 -39.23 76.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 62.43 111.094 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -61.97 -22.37 65.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.04 110.928 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -78.76 -35.86 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 55.35 110.878 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CD2' HD11 ' A' ' 52' ' ' LEU . 82.2 m-85 -105.29 22.07 16.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.977 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.45 160.7 23.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.692 . . . . 71.33 110.862 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -14.84 36.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.225 . . . . 61.41 112.369 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -71.33 -21.76 62.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.842 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -110.07 9.93 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 51.42 111.147 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.4 m-80 -90.92 11.92 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -40.5 94.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.896 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -118.61 12.98 13.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.876 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -137.94 81.13 28.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.596 0.713 . . . . 70.32 110.859 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 64.2 112.307 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -94.16 -21.33 19.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 55.14 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.16 -38.19 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 65.34 111.141 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -57.92 -36.24 72.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.948 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.03 -38.75 79.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.864 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -71.13 -34.34 70.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.906 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.489 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.2 t80 -61.42 -33.11 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.6 t -64.32 -33.21 75.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.881 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.907 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 34' ' ' TYR . 20.5 mt -61.78 -51.73 67.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 62.3 110.94 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.59 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.114 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.01 -50.38 72.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 64.15 110.854 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.756 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.78 -43.9 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 51.24 111.128 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.79 ' HA ' HD11 ' A' ' 12' ' ' LEU . 41.6 t80 -57.7 -28.74 64.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.901 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.55 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG13 ' HB3' ' A' ' 64' ' ' LYS . 48.4 t -74.45 -44.24 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 73.15 111.177 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.804 HD22 HD12 ' A' ' 12' ' ' LEU . 6.0 mp -73.17 -8.18 54.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.896 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.1 t -73.58 -13.68 61.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.85 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -138.0 131.43 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 73.54 110.829 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.916 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.84 -52.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 71.04 111.154 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HB3' HG13 ' A' ' 58' ' ' VAL . 23.0 mtpt -61.79 -46.58 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.912 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -46.78 87.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -63.38 -42.16 98.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -59.03 -38.52 79.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 70.21 110.905 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -72.4 -38.06 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.905 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.0 -29.03 69.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 71.02 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.24 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.52 111.07 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -97.9 26.19 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 71.32 110.912 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.88 -170.42 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 52.02 112.475 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 53.14 110.893 -179.765 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 73.34 110.841 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.4 ptp -150.23 136.4 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 53.03 110.876 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mp -75.59 133.19 40.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 61.35 110.938 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.5 143.63 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 70.11 111.086 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -77.62 144.87 37.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 70.53 110.926 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -100.48 152.89 19.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.866 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -118.17 157.3 27.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 61.42 110.836 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.3 m-85 -53.32 -36.59 61.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 54.11 110.936 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -51.83 -48.01 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 61.11 110.936 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -73.13 -39.49 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 62.53 110.897 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.7 mt -59.7 -23.3 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.04 111.161 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.888 HD13 HG23 ' A' ' 23' ' ' ILE . 13.6 mt -108.07 -15.55 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.927 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 27.14 58.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 52.22 112.484 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -114.07 152.61 45.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.657 0.742 . . . . 63.51 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.544 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.78 175.03 8.66 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 71.51 112.33 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -78.76 -8.28 58.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.872 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -113.52 4.0 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 60.04 110.907 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 160.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 60.3 111.101 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -107.48 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.83 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.1 mm100 -61.96 -26.59 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 72.52 110.867 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -78.09 -42.4 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.891 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.78 -30.64 70.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.888 HG23 HD13 ' A' ' 12' ' ' LEU . 15.6 mt -70.21 -35.91 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 111.1 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -39.03 82.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 61.13 110.903 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -73.9 -47.93 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.26 -31.28 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 51.34 111.105 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.86 -34.83 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.91 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -75.37 -47.48 27.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 75.21 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 63.15 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.84 -41.53 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.7 -39.81 78.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 60.22 111.115 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -61.02 -24.76 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 40.42 110.88 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -72.92 -38.6 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.858 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD2' HD11 ' A' ' 52' ' ' LEU . 75.3 m-85 -101.92 20.65 16.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 71.42 110.932 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 160.46 13.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.742 . . . . 75.42 110.808 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.63 24.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 65.23 112.393 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.22 -22.81 54.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 62.32 110.903 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -109.82 1.83 19.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 72.11 111.16 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -79.58 -6.06 56.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.1 110.895 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -40.47 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.903 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.45 19.9 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.893 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -147.24 80.74 9.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.602 0.715 . . . . 74.44 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.58 21.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 64.12 112.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -95.53 -19.97 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.865 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.39 -38.74 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 61.22 111.098 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -57.05 -38.64 73.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 53.33 110.91 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.3 -40.04 93.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 50.21 110.867 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -70.94 -34.12 71.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.533 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 44.0 t80 -58.69 -32.82 69.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.824 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -65.92 -35.74 81.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -60.87 -33.12 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.31 110.899 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 34' ' ' TYR . 20.6 mt -60.75 -48.64 80.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 74.1 110.901 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.05 -33.64 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 51.03 111.129 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.5 -50.13 70.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 65.21 110.855 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.38 -36.84 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 53.13 111.107 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.739 ' HA ' HD11 ' A' ' 12' ' ' LEU . 30.5 t80 -66.32 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.889 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -47.02 87.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 74.3 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG13 ' HB3' ' A' ' 64' ' ' LYS . 38.2 t -74.81 -42.65 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.34 111.127 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.786 HD22 HD12 ' A' ' 12' ' ' LEU . 4.4 mp -71.32 -9.82 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t -73.56 -12.82 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.87 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -138.0 129.18 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.42 110.907 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -54.44 -38.75 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.897 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.83 -50.41 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 64.1 111.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.0 mtpp -61.6 -42.85 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.889 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HA ' HG12 ' A' ' 58' ' ' VAL . 71.5 ttp85 -67.15 -47.35 71.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.912 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.56 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.856 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.01 -38.94 80.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -73.04 -38.07 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.958 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.14 -29.71 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.12 110.831 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.56 -30.42 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.25 26.7 9.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 71.1 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.7 176.55 22.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.485 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 74.4 110.852 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.6 m80 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.81 0.338 . . . . 64.44 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.2 ttt -126.42 136.26 52.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 62.13 110.892 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 4' ' ' ALA . 2.6 tt -85.28 121.45 28.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 70.3 110.925 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.528 ' O ' HD23 ' A' ' 3' ' ' LEU . . . -79.19 159.63 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 64.24 111.11 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -70.48 151.8 44.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.878 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -116.37 153.04 32.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -117.65 155.91 29.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.862 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.731 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 11.8 m-85 -61.3 -29.09 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.951 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -51.86 -44.95 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.905 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -73.96 -39.2 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 72.11 110.861 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.5 mt -60.51 -23.36 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.25 111.157 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.929 HD13 HG23 ' A' ' 23' ' ' ILE . 11.4 mt -106.97 -15.53 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.904 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.2 24.53 63.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 61.41 112.509 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 152.69 44.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.13 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.71 175.44 8.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.641 2.227 . . . . 74.4 112.395 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -78.85 -8.4 58.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.89 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -113.39 3.88 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.868 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.4 159.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.092 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.45 166.87 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 54.11 110.841 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.674 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.4 mm100 -61.68 -26.28 67.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 71.11 110.954 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -78.07 -43.25 29.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.45 110.834 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.77 -32.88 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 65.13 110.876 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.929 HG23 HD13 ' A' ' 12' ' ' LEU . 16.7 mt -66.21 -34.46 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.15 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -61.24 -40.44 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.91 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.07 -47.67 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.931 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 64.24 111.093 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -72.86 -34.82 66.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.912 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -75.4 -47.53 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 73.41 110.894 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -59.64 -34.15 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.958 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -73.13 -41.28 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.896 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.56 -42.0 82.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 32.11 111.103 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -59.31 -29.64 67.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 70.34 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -72.0 -35.85 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.884 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.523 ' CD2' HD11 ' A' ' 52' ' ' LEU . 95.3 m-85 -102.83 23.95 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.892 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 160.47 64.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 71.44 110.864 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.66 33.29 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.667 2.245 . . . . 64.33 112.352 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -75.43 -23.0 56.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 73.33 110.821 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 p -105.39 2.91 29.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.097 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.54 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -80.44 -1.71 42.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 61.31 110.898 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -40.39 59.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.899 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -118.5 18.09 13.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.838 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -148.74 80.78 8.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 63.12 110.908 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.64 21.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 74.12 112.35 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -95.53 -18.55 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.36 -33.72 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.14 111.15 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.14 -42.15 80.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -64.78 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 74.05 110.864 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -71.1 -35.26 71.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.891 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 46.5 t80 -59.54 -31.97 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 71.04 110.832 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -69.64 -32.79 71.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.845 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.74 -32.36 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 30' ' ' LEU . 10.4 mt -63.02 -50.21 71.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 55.41 110.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.2 75.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.095 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -64.95 -50.29 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.911 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.58 -40.35 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 52.14 111.137 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.746 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.6 t80 -61.88 -26.89 68.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 71.42 110.898 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.906 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 64' ' ' LYS . 21.9 t -74.62 -43.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 64.21 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.723 HD22 HD12 ' A' ' 12' ' ' LEU . 2.9 mp -70.29 -10.55 59.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 75.43 110.928 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.6 t -73.47 -12.06 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 73.35 110.847 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.85 128.53 26.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.44 110.864 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -54.55 -41.25 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 44.14 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.67 -51.11 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.134 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.4 mtpp -61.74 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 51.44 110.916 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' HA ' HG12 ' A' ' 58' ' ' VAL . 59.7 ttp180 -64.81 -47.92 76.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.881 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -62.85 -44.64 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 74.34 110.88 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.08 -46.32 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.866 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -61.93 -35.09 77.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.961 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.67 -31.52 72.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 63.32 110.863 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.44 68.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.3 111.103 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -14.41 14.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.942 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.67 154.85 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.05 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 65.1 110.838 -179.726 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.832 0.348 . . . . 62.22 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.19 134.56 55.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 44.2 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.5 mm? -77.42 135.44 38.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 63.24 110.916 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.45 160.59 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.12 111.122 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.97 168.76 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 61.21 110.929 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -115.69 133.67 55.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 64.44 110.909 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.48 150.75 41.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.6 m-85 -51.86 -33.78 37.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 70.03 110.926 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -51.66 -42.59 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.44 110.887 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -75.54 -35.67 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 60.44 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 8' ' ' TYR . 71.9 mt -64.86 -28.75 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.134 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.812 HD11 ' HA ' ' A' ' 56' ' ' TYR . 10.2 mt -99.84 -16.48 18.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 72.4 110.928 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.07 30.29 51.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.739 . . . . 74.15 112.476 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 m -117.55 152.48 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.722 . . . . 74.34 111.106 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.662 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.78 175.65 7.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 75.34 112.33 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -78.93 -8.92 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 61.21 110.848 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -115.25 6.24 14.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.881 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -57.05 160.83 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.063 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -107.51 168.81 8.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.824 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 23' ' ' ILE . 7.5 mm100 -62.36 -26.41 68.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 65.04 110.899 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.46 -42.58 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.31 110.847 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.92 -28.52 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 61.41 110.851 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 20' ' ' GLN . 17.6 mt -71.66 -35.26 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.42 111.142 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -59.47 -41.31 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.91 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -72.73 -48.07 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.87 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.01 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.104 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -72.52 -34.75 67.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.966 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -75.06 -47.91 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 74.21 110.894 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.936 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.63 -41.33 65.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.917 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.64 -40.13 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 62.05 111.095 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.29 -23.46 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.24 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -80.08 -36.24 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.0 110.946 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD2' HD11 ' A' ' 52' ' ' LEU . 91.6 m-85 -102.58 22.06 14.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.891 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 160.59 45.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 75.32 110.88 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -24.37 29.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.41 112.415 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.736 ' OD2' HG23 ' A' ' 38' ' ' THR . 5.2 p30 -60.57 -21.45 62.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.862 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.736 HG23 ' OD2' ' A' ' 37' ' ' ASP . 17.2 p -109.49 6.7 24.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.42 111.181 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -86.2 -3.37 58.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.12 110.858 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -51.58 -40.33 59.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.89 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.48 17.75 13.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.85 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -145.91 80.8 10.24 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.634 0.731 . . . . 64.41 110.885 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.56 21.36 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 73.24 112.326 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -95.13 -20.47 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.914 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -57.01 -35.62 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 72.03 111.085 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -57.01 -40.24 76.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 63.25 110.875 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -65.04 -36.2 83.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -71.06 -38.42 72.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.925 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.483 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 42.0 t80 -58.65 -34.07 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.44 110.892 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -64.82 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.879 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -60.79 -29.4 69.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 63.23 110.902 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 34' ' ' TYR . 15.9 mt -64.27 -50.46 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.916 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.105 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.43 -50.05 69.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 65.32 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -70.98 -34.15 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 74.41 111.079 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.812 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.8 t80 -70.53 -27.07 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.917 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.1 -50.17 75.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.21 110.854 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.618 HG13 ' HB3' ' A' ' 64' ' ' LYS . 90.6 t -74.82 -42.66 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.41 111.127 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 8' ' ' TYR . 4.2 mm? -68.08 -12.11 60.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.886 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.8 t -73.62 -11.43 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.851 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.32 129.52 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.826 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.12 -42.15 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.93 -50.3 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.35 111.122 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HB3' HG13 ' A' ' 58' ' ' VAL . 13.0 mtpp -63.23 -47.19 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.905 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HA ' HG12 ' A' ' 58' ' ' VAL . 42.9 ttp180 -59.92 -41.59 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 53.24 110.889 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -70.84 -44.58 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.911 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -59.09 -49.09 79.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -62.96 -35.34 79.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.943 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -27.47 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 61.35 110.876 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.18 69.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.33 111.086 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -96.15 26.33 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.903 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.73 132.6 26.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 71.11 112.495 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 75.21 110.881 -179.74 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.9 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 73.21 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mtp -67.62 -51.65 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.87 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -75.92 148.42 38.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 71.13 110.949 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.16 139.83 30.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.42 111.068 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 130.58 42.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 63.1 110.877 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -110.58 161.87 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 65.43 110.888 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -97.04 153.49 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.666 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.5 m-85 -54.91 -30.98 59.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.861 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -51.86 -43.64 63.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 65.42 110.952 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -75.45 -38.04 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 8' ' ' TYR . 74.7 mt -60.87 -22.83 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.105 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.825 HD13 HG23 ' A' ' 23' ' ' ILE . 13.5 mt -107.95 -14.63 14.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 62.42 110.91 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 23.51 65.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 63.21 112.533 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.6 m -110.4 152.37 43.25 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 74.31 111.136 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.4 Cg_endo -69.76 175.28 8.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 52.43 112.369 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.79 -8.56 58.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.893 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -113.89 4.7 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.898 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.46 159.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 55.32 111.089 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -107.57 163.68 12.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.41 110.817 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.684 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.7 mm100 -59.66 -26.69 65.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.897 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -78.1 -40.72 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.893 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.64 -36.05 78.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 54.14 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.825 HG23 HD13 ' A' ' 12' ' ' LEU . 19.4 mt -61.27 -32.75 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.151 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.37 -40.43 96.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.934 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -68.1 -48.04 66.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.48 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.12 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -72.54 -34.66 67.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.929 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -74.76 -47.83 28.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.04 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -59.78 -34.73 73.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.52 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD23 HD22 ' A' ' 52' ' ' LEU . 1.1 mp -72.8 -41.35 65.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 54.15 110.924 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.63 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.082 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -58.29 -22.2 51.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.928 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -75.62 -35.91 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.904 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' HD11 ' A' ' 52' ' ' LEU . 40.9 m-85 -113.58 25.71 11.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.951 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 159.94 3.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 53.54 110.854 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -19.55 36.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 63.04 112.376 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.14 -23.11 67.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.887 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 p -110.59 5.92 21.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 65.2 111.175 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -86.09 -12.79 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.882 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -40.33 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.45 110.913 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.44 18.68 13.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 70.31 110.827 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -139.11 81.7 20.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 72.21 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.75 21.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 70.44 112.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -94.36 -22.9 18.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 54.32 110.923 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.98 94.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 35.32 111.064 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.83 -32.1 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 73.01 110.915 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -73.81 -40.61 63.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.875 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.67 -38.71 77.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.896 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -59.65 -32.0 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 73.45 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.7 t -58.63 -32.99 69.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 61.31 110.894 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -67.21 -27.6 67.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 30' ' ' LEU . 20.2 mt -70.58 -50.81 33.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.92 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.9 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 60.4 111.134 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.82 -50.2 69.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.948 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.46 -35.79 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 62.33 111.132 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.774 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.9 t80 -67.46 -27.0 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.3 110.873 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.13 -47.19 87.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.23 110.824 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 65' ' ' ARG . 59.7 t -74.92 -41.39 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.43 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.777 HD22 HD12 ' A' ' 12' ' ' LEU . 4.8 mp -73.0 -8.49 55.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.939 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.8 t -73.61 -15.91 61.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.35 110.846 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -136.04 129.17 31.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 73.32 110.865 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.29 -42.98 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.893 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.89 -49.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 71.42 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -63.29 -45.77 89.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.03 110.895 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' HA ' HG12 ' A' ' 58' ' ' VAL . 60.1 ttp180 -61.04 -48.59 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.874 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.82 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 73.53 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -58.98 -36.42 74.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 70.23 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -69.68 -38.06 76.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 72.51 110.904 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -66.09 -25.79 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 61.24 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.18 81.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 74.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -101.8 26.18 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.913 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.54 169.56 54.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 71.21 112.507 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 41.43 110.843 -179.742 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 70.34 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.8 mtt -93.84 -50.36 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 63.21 110.887 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -63.48 143.26 57.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 62.35 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.28 141.74 57.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 61.15 111.121 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -68.85 130.16 42.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.881 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.0 157.62 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.869 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.35 148.55 31.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 62.22 110.902 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.6 m-85 -51.81 -33.48 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.897 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -51.51 -46.3 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 72.42 110.907 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.49 -39.38 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.931 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 8' ' ' TYR . 69.4 mt -60.48 -32.46 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.125 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.788 HD11 ' HA ' ' A' ' 56' ' ' TYR . 8.4 mt -95.58 -15.81 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.914 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 26.51 59.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 40.34 112.491 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -114.12 152.63 46.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.647 0.737 . . . . 50.43 111.12 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.661 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.9 Cg_endo -69.7 175.31 8.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 74.05 112.37 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -78.93 -8.35 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 61.54 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -115.03 5.65 15.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 53.33 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.661 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -58.34 160.34 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 75.43 111.121 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -107.52 173.18 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.42 110.876 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.676 ' HA ' HD12 ' A' ' 23' ' ' ILE . 9.1 mm100 -65.51 -26.37 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.906 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -76.77 -40.79 47.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.55 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -32.83 74.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 20' ' ' GLN . 21.7 mt -66.8 -32.81 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 72.15 111.119 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.69 -40.98 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.889 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -73.1 -47.94 40.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.886 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.85 71.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.11 111.103 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.4 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 71.01 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -74.55 -48.01 29.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.971 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -59.9 -34.34 73.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 55.1 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.1 mp -72.79 -41.56 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 62.31 110.902 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.55 -43.2 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.55 111.12 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -57.37 -23.51 49.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -75.26 -35.77 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.894 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CD2' HD11 ' A' ' 52' ' ' LEU . 46.4 m-85 -112.72 25.6 11.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.935 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 160.17 4.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 72.0 110.821 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -22.02 32.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.696 2.264 . . . . 70.32 112.31 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -59.26 -23.9 62.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.871 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -110.42 8.76 23.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 75.02 111.138 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.97 -12.39 38.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.19 56.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.54 110.922 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -118.3 19.24 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.869 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.55 81.15 13.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.568 0.699 . . . . 72.11 110.866 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -7.83 22.07 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.68 2.254 . . . . 52.01 112.326 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -94.29 -18.2 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 60.14 110.891 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.0 91.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.43 111.097 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -56.92 -33.24 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 65.33 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.68 -39.67 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 44.32 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -70.93 -34.27 71.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -67.19 -33.49 75.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.908 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.3 t -59.12 -35.2 73.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.904 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.75 -27.11 68.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 34' ' ' TYR . 41.2 mt -65.66 -51.22 61.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 65.43 110.921 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.77 82.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 44.52 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -60.75 -49.97 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 54.43 110.886 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.24 -34.03 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.04 111.146 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.788 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.9 t80 -70.77 -26.75 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.923 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.09 -50.07 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 74.3 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.701 HG13 ' HB3' ' A' ' 64' ' ' LYS . 22.0 t -74.86 -41.9 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.05 111.12 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD13 ' HG3' ' A' ' 65' ' ' ARG . 4.2 mm? -69.26 -11.2 60.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -73.64 -13.55 61.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.53 110.889 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.72 139.96 40.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 31.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -65.97 -37.16 85.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.893 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.6 -49.5 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.701 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.8 mtpp -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.89 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.498 ' HG3' HD13 ' A' ' 59' ' ' LEU . 3.7 ttt180 -63.79 -41.52 97.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -63.52 -44.99 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.903 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -59.03 -43.45 91.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 72.13 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -69.39 -33.18 72.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 75.04 110.938 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.49 -27.85 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 71.52 110.86 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.4 90.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 71.12 111.122 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.43 26.17 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.931 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.22 -171.99 41.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 42.43 112.47 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.1 110.891 -179.766 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.816 0.341 . . . . 73.32 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.4 ttt -155.11 129.96 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp -68.72 117.41 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 54.14 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.06 141.37 58.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.098 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -97.0 101.23 12.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 64.13 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -101.05 135.44 42.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 63.53 110.878 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -63.14 176.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 75.44 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.615 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 17.3 m-85 -66.87 -27.2 67.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.916 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -51.84 -46.25 64.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.507 . . . . 75.34 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -74.21 -38.14 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.04 110.907 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' TYR . 71.6 mt -60.96 -20.73 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.815 HD13 HG23 ' A' ' 23' ' ' ILE . 10.2 mt -110.7 -14.48 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.893 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.46 65.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 73.1 112.493 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -110.85 152.56 43.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 75.12 111.107 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.78 174.88 8.87 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 74.43 112.348 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -78.05 -8.83 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.89 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -114.5 5.6 15.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 64.52 110.884 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.594 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.41 158.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.067 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.5 160.64 15.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.841 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.772 ' HA ' HD12 ' A' ' 23' ' ' ILE . 10.3 mm100 -55.65 -26.3 43.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.902 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.87 -49.18 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -61.52 -36.65 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.84 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.815 HG23 HD13 ' A' ' 12' ' ' LEU . 19.0 mt -59.56 -32.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.15 111.15 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.866 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.44 -47.73 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 72.51 110.899 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 12' ' ' LEU . . . -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 62.24 111.12 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -72.9 -34.8 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.935 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -75.55 -47.47 26.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.925 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -59.53 -34.38 72.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 72.43 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 52' ' ' LEU . 1.3 mp -73.2 -41.46 63.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.61 -38.72 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 62.54 111.048 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -62.89 -23.18 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 70.52 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -77.97 -36.87 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CD2' HD11 ' A' ' 52' ' ' LEU . 87.6 m-85 -102.86 21.94 14.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 71.32 110.936 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.92 160.75 35.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.527 0.679 . . . . 65.21 110.863 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.71 24.29 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.648 2.232 . . . . 63.52 112.35 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' OD1' HG23 ' A' ' 38' ' ' THR . 1.6 p-10 -77.68 -22.87 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 74.11 110.893 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.474 HG23 ' OD1' ' A' ' 37' ' ' ASP . 16.8 p -107.56 7.08 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 61.54 111.166 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.7 m-80 -86.4 -3.1 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.91 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -51.56 -40.34 59.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.856 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -118.35 17.94 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 64.25 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -147.06 80.46 9.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 73.14 110.866 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.52 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 71.11 112.355 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -95.54 -18.74 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.44 110.852 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.3 -36.16 68.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 52.44 111.083 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.18 -37.99 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.24 -37.81 86.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.33 110.834 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -71.16 -35.78 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 40.7 t80 -58.74 -31.98 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.887 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -65.75 -33.71 76.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.861 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -61.98 -34.25 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.35 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 34' ' ' TYR . 16.9 mt -59.99 -47.92 83.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.893 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.26 72.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.122 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.5 -50.18 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 60.13 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.615 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.47 -34.21 69.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 64.23 111.112 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.754 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.5 t80 -72.54 -26.83 61.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.21 110.937 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.72 -50.02 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.885 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG13 ' HB3' ' A' ' 64' ' ' LYS . 24.4 t -74.85 -38.62 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.53 111.121 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.773 HD22 HD12 ' A' ' 12' ' ' LEU . 5.3 mp -73.79 -7.66 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 55.23 110.934 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 t -73.62 -17.78 61.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.64 139.84 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.891 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -61.81 -41.86 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.884 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.57 -54.01 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 73.34 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HB3' HG13 ' A' ' 58' ' ' VAL . 53.0 mtmt -63.65 -47.08 82.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.876 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -57.3 -41.53 80.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 72.02 110.881 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.14 -41.94 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.87 -49.2 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.54 110.868 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.505 ' CD1' HG11 ' A' ' 58' ' ' VAL . 14.7 m-85 -73.22 -29.24 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.884 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.31 -26.14 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.87 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.85 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.127 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -101.12 27.26 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 73.15 110.919 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.76 174.26 5.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 41.3 112.482 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 74.45 110.879 -179.743 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.838 0.351 . . . . 72.41 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.8 mmt -71.89 122.7 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tp -83.32 134.91 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 53.3 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.68 157.89 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.121 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -131.55 118.56 20.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 74.53 110.908 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.12 150.48 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.895 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.41 164.17 13.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 70.43 110.854 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.688 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 13.6 m-85 -56.37 -31.89 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.91 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -52.0 -44.01 63.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.918 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -75.25 -37.72 60.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 65.44 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 8' ' ' TYR . 75.4 mt -61.38 -24.36 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 72.43 111.105 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.901 HD13 HG23 ' A' ' 23' ' ' ILE . 12.8 mt -105.98 -14.42 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 63.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.42 65.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.488 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -110.65 152.55 43.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.73 . . . . 75.44 111.149 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 54.3 Cg_endo -69.69 175.23 8.32 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 71.43 112.4 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -78.55 -8.67 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 71.21 110.865 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -114.5 5.52 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 71.12 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.57 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.3 160.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 45.24 111.086 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 m -107.47 162.08 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 53.11 110.878 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.5 mm100 -57.18 -26.3 60.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.943 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -47.62 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.894 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.65 -29.03 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.05 110.857 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.901 HG23 HD13 ' A' ' 12' ' ' LEU . 16.7 mt -70.72 -36.19 63.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -60.59 -40.2 90.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.51 110.889 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -72.49 -48.04 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.906 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.08 -31.19 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 64.14 111.079 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -72.86 -34.76 66.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 63.54 110.919 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -75.4 -47.5 27.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 62.34 110.918 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -59.59 -34.41 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.31 110.874 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.97 -41.49 64.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.91 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.515 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.63 -40.54 79.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.115 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.16 -24.51 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.895 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -73.72 -39.19 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.869 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CD2' HD11 ' A' ' 52' ' ' LEU . 71.4 m-85 -100.84 18.44 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.962 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 160.64 5.25 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.614 0.721 . . . . 74.13 110.858 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -12.0 31.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 72.22 112.339 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -78.51 -20.16 51.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 71.41 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -109.8 10.04 24.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 70.21 111.12 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -91.33 12.55 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 62.04 110.866 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -40.6 90.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 71.42 110.95 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.64 15.77 13.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.869 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -141.87 81.29 14.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 64.45 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -7.71 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 64.12 112.317 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -94.5 -20.0 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.92 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.24 -37.49 69.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 64.21 111.143 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -57.96 -43.8 86.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.928 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.97 -37.75 88.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.916 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -70.88 -34.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 72.21 110.904 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.3 t80 -58.73 -36.39 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 63.32 110.85 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -62.5 -34.43 76.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.85 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -61.51 -32.9 72.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 73.01 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD11 ' CD2' ' A' ' 34' ' ' TYR . 19.4 mt -60.92 -49.61 76.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.87 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.6 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 55.32 111.124 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.51 -50.01 71.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 63.41 110.912 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.2 -36.98 72.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 65.44 111.07 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.4 t80 -68.32 -26.58 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.905 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -49.92 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.86 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 64' ' ' LYS . 22.1 t -74.62 -39.28 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 111.123 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.765 HD22 HD12 ' A' ' 12' ' ' LEU . 5.1 mp -72.99 -7.8 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -73.37 -16.68 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 62.02 110.835 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -134.17 137.7 44.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 70.32 110.859 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.79 -42.93 94.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 53.54 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.2 t -57.8 -54.02 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 72.2 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.664 ' HB3' HG13 ' A' ' 58' ' ' VAL . 50.9 mtmt -64.06 -46.88 82.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -57.32 -41.1 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.85 -38.39 78.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 73.31 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.14 -37.37 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 65.24 110.945 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -59.5 -31.34 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 75.33 110.853 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.25 77.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 73.42 111.1 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -112.04 26.63 10.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.25 110.914 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.08 148.91 19.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 73.44 112.498 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 44.31 110.851 -179.74 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.32 . . . . 60.52 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.7 tpt -110.05 129.47 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.85 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.89 123.9 27.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 62.33 110.903 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.01 161.15 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.42 111.128 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 141.66 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.02 110.896 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -110.15 134.49 52.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.848 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -114.06 159.71 19.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 70.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.729 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.2 m-85 -65.06 -26.99 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 74.22 110.892 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -51.91 -45.38 64.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 63.04 110.922 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -73.2 -41.17 64.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 65.33 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 8' ' ' TYR . 63.9 mt -57.89 -22.81 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 64.5 111.145 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.897 HD13 HG23 ' A' ' 23' ' ' ILE . 12.4 mt -108.73 -16.25 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.94 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.28 24.79 62.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 62.04 112.501 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -110.53 152.79 43.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 70.24 111.118 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.74 175.55 7.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 74.12 112.351 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -78.86 -8.66 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -112.72 3.53 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.867 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.39 159.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.098 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 m -107.47 170.33 8.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 52.24 110.87 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.589 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.0 mm100 -64.57 -26.39 68.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 70.43 110.893 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.64 -40.33 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -68.8 -34.98 76.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.888 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.897 HG23 HD13 ' A' ' 12' ' ' LEU . 16.9 mt -65.33 -34.96 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.31 111.131 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -60.99 -40.49 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.917 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -72.03 -48.08 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 73.14 110.914 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -72.7 -34.8 67.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.958 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -75.49 -47.65 26.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 72.31 110.91 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -59.49 -33.99 72.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.931 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 52' ' ' LEU . 1.5 mp -73.28 -41.69 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.93 -32.58 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.03 111.095 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -70.07 -17.6 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 53.54 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -80.43 -35.57 34.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 74.54 110.867 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -109.32 27.33 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.928 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 156.39 2.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 75.51 110.846 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.56 28.85 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 73.11 112.401 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.96 -29.36 60.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.875 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.6 p -110.61 10.41 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 71.11 111.135 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -88.74 -11.47 44.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 70.22 110.878 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -54.12 -40.46 67.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 51.54 110.889 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -118.6 11.26 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.834 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -129.94 82.33 66.77 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.603 0.716 . . . . 72.35 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 61.42 112.343 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -93.17 -19.67 21.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 63.25 110.89 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.18 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 62.14 111.066 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -56.94 -32.28 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.867 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.15 -39.89 75.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 63.31 110.856 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -71.12 -37.89 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 61.15 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 38.1 t80 -65.36 -37.22 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.89 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -62.16 -32.94 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -60.81 -26.91 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 62.55 110.888 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 30' ' ' LEU . 23.9 mt -68.12 -48.02 66.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.918 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.07 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.102 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -64.65 -50.31 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 70.21 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.63 -41.81 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 61.14 111.111 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.773 ' HA ' HD11 ' A' ' 12' ' ' LEU . 34.3 t80 -60.24 -27.03 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.954 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 72.11 110.882 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.46 -44.24 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 71.13 111.146 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 12' ' ' LEU . 5.2 mp -72.7 -8.46 55.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 64.22 110.937 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.5 t -73.65 -13.74 61.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.841 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -137.79 129.72 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.882 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -53.51 -42.29 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.872 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.4 -53.07 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 50.22 111.098 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -62.22 -44.6 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.916 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -45.62 94.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 70.02 110.907 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -64.13 -43.14 96.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -58.99 -41.23 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.955 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.0 -34.81 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 64.0 110.943 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -67.15 -31.86 72.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.936 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.93 91.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 75.22 111.089 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -103.45 26.53 8.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.968 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.76 175.55 19.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.3 112.498 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 63.35 110.86 -179.745 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 25.3 p80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 52.12 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 17.6 mmm -130.01 148.0 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.876 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.02 117.28 19.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 65.32 110.907 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.79 131.3 50.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 61.55 111.136 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -53.64 118.17 3.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.91 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -112.15 136.28 51.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 71.14 110.834 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.57 159.58 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 50.32 110.857 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.688 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 9.9 m-85 -58.06 -27.37 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.93 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -54.89 -47.7 73.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.34 -31.88 60.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 62.23 110.907 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 8' ' ' TYR . 78.4 mt -65.69 -23.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.148 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 59' ' ' LEU . 13.0 mt -111.0 -15.68 13.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 61.24 110.93 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.15 39.6 22.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 63.02 112.495 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -124.22 152.49 67.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 65.43 111.124 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.74 174.26 9.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 61.32 112.343 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -78.73 -7.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 65.02 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -115.27 5.91 14.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 65.45 110.88 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.3 159.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.04 111.088 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -107.5 157.31 18.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.854 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -54.71 -27.15 38.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 72.25 110.894 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -78.05 -40.92 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.39 -36.43 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.835 HD13 ' HB3' ' A' ' 59' ' ' LEU . 83.1 mt -63.77 -32.83 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 71.44 111.165 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -63.14 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 72.4 110.945 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -69.85 -47.02 64.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.89 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.39 -31.01 69.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.45 111.142 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.56 -34.77 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.955 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -74.92 -47.79 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 64.23 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -59.78 -34.48 73.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.62 -41.46 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.939 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -39.55 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 54.04 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -62.12 -21.06 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 54.14 110.884 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -80.07 -38.52 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 75.31 110.884 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CD2' HD11 ' A' ' 52' ' ' LEU . 80.6 m-85 -101.42 22.49 12.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 73.4 110.93 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.71 160.55 43.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.611 0.719 . . . . 72.3 110.822 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -11.99 31.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 71.23 112.31 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.713 ' OD1' HG23 ' A' ' 38' ' ' THR . 3.8 p-10 -70.66 -23.64 62.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 65.44 110.859 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.713 HG23 ' OD1' ' A' ' 37' ' ' ASP . 16.7 p -109.19 2.22 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.31 111.159 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -79.55 -5.44 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.5 110.841 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.39 59.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 63.42 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.39 19.46 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.869 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -147.66 80.69 8.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.613 0.721 . . . . 64.53 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 73.43 112.382 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -95.42 -19.57 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.949 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.442 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.34 -38.18 71.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 73.22 111.097 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -57.12 -37.53 72.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 55.32 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.84 -39.91 94.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -71.13 -35.78 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.6 t80 -59.14 -32.01 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.855 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -65.84 -34.27 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 72.52 110.858 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -62.15 -33.36 74.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 73.51 110.928 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.507 HD11 ' CD2' ' A' ' 34' ' ' TYR . 15.2 mt -60.16 -45.74 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 55.53 110.898 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.52 -31.5 69.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.128 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.45 -50.48 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.82 -38.96 70.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.15 111.125 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.692 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.4 t80 -63.21 -26.9 69.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.926 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.59 -46.27 90.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 74.52 110.915 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 65' ' ' ARG . 67.6 t -74.83 -41.21 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 71.02 111.151 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 12' ' ' LEU . 29.5 mt -74.21 -7.69 53.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 70.22 110.918 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 t -74.37 -15.61 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.808 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 134.49 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.03 -39.01 80.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.23 110.88 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 t -61.67 -53.82 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 44.34 111.162 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HA ' HG12 ' A' ' 58' ' ' VAL . 14.7 ttt-85 -64.23 -45.7 87.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 70.55 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -61.01 -41.65 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -59.06 -38.34 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 72.44 110.88 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.43 -34.4 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.916 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -68.41 -29.68 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 54.2 110.849 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.32 85.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.061 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -111.06 26.29 10.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 72.43 110.91 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.71 155.89 21.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 32.14 112.481 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 70.53 110.874 -179.732 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 39.6 m80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.331 . . . . 71.45 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.8 mtm -94.36 122.39 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -71.78 138.67 48.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 62.15 110.965 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.94 155.75 27.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.23 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -56.7 146.46 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 71.41 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -119.05 143.57 47.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 75.35 110.934 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.41 158.23 19.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 71.51 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.681 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.3 m-85 -59.8 -28.07 67.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.893 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -51.93 -45.27 64.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 75.34 110.92 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -72.86 -41.77 64.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 8' ' ' TYR . 63.7 mt -57.75 -22.92 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.098 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.879 HD13 HG23 ' A' ' 23' ' ' ILE . 11.5 mt -107.77 -15.94 14.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 71.45 110.901 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.71 65.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.458 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -109.9 152.75 43.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 44.4 111.151 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.81 175.46 8.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 71.42 112.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -78.87 -8.59 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -111.73 2.52 17.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.855 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.36 158.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 23.3 111.089 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -107.53 170.58 7.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.869 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.622 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.6 mm100 -63.95 -26.34 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -76.43 -43.91 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 64.44 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.847 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.879 HG23 HD13 ' A' ' 12' ' ' LEU . 17.9 mt -59.59 -34.5 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 70.43 111.109 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -61.66 -40.28 94.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 61.41 110.915 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -71.71 -48.07 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.15 110.89 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 53.13 111.119 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -72.76 -34.97 67.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.22 110.94 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -75.52 -47.4 27.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 75.11 110.922 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.59 -33.61 71.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 71.3 110.833 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' ' 52' ' ' LEU . 2.0 mp -74.92 -41.61 59.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.927 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.75 -32.58 67.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.1 111.103 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -73.38 -26.94 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.84 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -70.36 -37.01 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.893 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD2' HD11 ' A' ' 52' ' ' LEU . 74.2 m-85 -104.85 27.67 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.914 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.13 156.14 1.95 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 75.45 110.825 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 71.42 112.297 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -55.06 -29.39 57.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.897 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.9 p -110.69 11.26 22.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 73.3 111.095 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.23 -14.52 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -40.47 60.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 51.21 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -118.55 10.77 12.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.9 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -129.99 82.29 66.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 23.23 110.872 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.72 21.79 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.248 . . . . 70.22 112.339 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -93.0 -19.81 21.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.89 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.24 -38.26 78.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 65.44 111.138 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -56.88 -32.28 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 72.04 110.891 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -70.32 -38.69 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -71.13 -38.12 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 40.42 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -64.96 -40.82 95.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.909 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -60.28 -33.32 72.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.0 110.84 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -60.73 -27.49 67.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.936 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' LEU . 13.6 mt -66.82 -48.31 69.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 60.42 110.93 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -31.78 70.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 63.52 111.132 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -67.36 -50.24 60.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 22.4 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.59 -37.87 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 65.22 111.08 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.766 ' HA ' HD11 ' A' ' 12' ' ' LEU . 33.9 t80 -64.81 -27.05 68.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.898 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.895 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 64' ' ' LYS . 33.7 t -74.56 -43.73 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.178 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD22 HD12 ' A' ' 12' ' ' LEU . 4.8 mp -72.98 -8.4 55.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.898 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.56 -14.35 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.886 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -138.37 132.56 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 64.41 110.877 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.57 -41.8 73.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.888 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.52 -53.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 52.41 111.144 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HB3' HG13 ' A' ' 58' ' ' VAL . 21.4 mtpt -62.35 -45.83 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 44.42 110.907 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -59.05 -45.76 89.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.843 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -67.2 -42.88 83.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.947 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -59.03 -36.24 74.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.892 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -73.12 -36.35 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.03 110.936 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -26.89 68.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.864 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.48 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 41.43 111.108 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -102.42 26.35 7.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 72.2 110.92 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.75 148.67 16.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 32.14 112.523 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 54.03 110.832 -179.729 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.344 . . . . 73.12 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 13.5 mmt -82.0 -65.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 34.1 110.889 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.33 138.25 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.865 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.75 137.88 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 61.02 111.084 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -78.03 -179.34 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.901 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -109.84 164.05 12.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.948 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -121.02 154.61 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.04 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.719 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 9.4 m-85 -58.17 -32.37 68.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 73.35 110.942 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -52.22 -46.37 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.04 110.927 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -73.21 -39.93 65.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 71.3 110.879 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 8' ' ' TYR . 70.2 mt -59.56 -24.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 70.11 111.172 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.909 HD13 HG23 ' A' ' 23' ' ' ILE . 12.6 mt -105.58 -14.88 15.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.867 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 23.73 65.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 64.11 112.505 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -111.44 152.87 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 73.22 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.566 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.8 Cg_endo -69.81 175.32 8.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.686 2.257 . . . . 63.45 112.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -78.8 -8.38 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.3 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -113.59 4.16 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.52 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.33 159.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 p -107.48 168.63 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.12 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.1 mm100 -63.37 -26.33 68.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 74.31 110.898 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -40.51 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.05 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -68.62 -35.39 77.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 75.11 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.909 HG23 HD13 ' A' ' 12' ' ' LEU . 15.6 mt -63.3 -34.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 45.15 111.079 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -63.08 -39.35 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 51.32 110.882 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -68.92 -48.02 64.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.939 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.92 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.22 111.086 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -71.86 -34.52 69.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.881 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -73.65 -48.15 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 72.5 110.914 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -60.83 -33.87 73.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.917 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.525 HD23 HD22 ' A' ' 52' ' ' LEU . 1.2 mp -73.04 -41.78 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 64.22 110.942 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.81 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.11 111.076 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.905 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -76.43 -36.93 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.885 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD2' HD11 ' A' ' 52' ' ' LEU . 48.8 m-85 -111.99 25.73 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.47 160.11 5.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 71.3 110.848 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -22.09 32.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.609 2.206 . . . . 63.55 112.353 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.55 -22.41 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 61.12 110.885 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -110.63 8.12 22.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.116 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -89.25 -1.03 57.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -40.64 82.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 63.21 110.898 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.56 14.25 13.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 70.23 110.882 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -134.59 81.3 48.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 71.43 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.83 22.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.703 2.268 . . . . 54.42 112.289 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 -23.22 18.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.44 110.851 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.43 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 40.32 111.109 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -57.0 -33.4 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.876 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.28 -41.31 63.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 53.35 110.858 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -68.91 -37.51 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.896 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.41 -32.34 72.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 70.45 110.901 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -59.75 -32.75 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.858 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.98 -29.0 69.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 64.54 110.86 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD22 HD23 ' A' ' 30' ' ' LEU . 14.2 mt -70.01 -52.13 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 52.04 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.073 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.28 -49.93 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.865 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.719 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.41 -36.49 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.08 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.752 ' HA ' HD11 ' A' ' 12' ' ' LEU . 31.8 t80 -68.19 -27.01 66.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 74.11 110.924 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.41 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 62.42 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 65' ' ' ARG . 44.6 t -74.72 -42.58 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 31.42 111.131 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 12' ' ' LEU . 3.9 mp -69.65 -11.0 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.92 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 t -73.57 -11.99 60.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 64.03 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -136.84 128.42 28.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 73.01 110.817 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -55.46 -43.17 75.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.893 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.16 -48.33 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 70.54 111.114 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -62.28 -47.41 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.849 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.575 ' HA ' HG12 ' A' ' 58' ' ' VAL . 32.7 ttp180 -59.74 -47.86 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.836 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -64.55 -42.72 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.21 110.912 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -61.23 -46.22 91.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.86 -31.12 68.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.927 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.49 -27.9 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.24 -27.44 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.1 111.065 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -102.51 -14.45 16.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.23 110.917 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.26 134.98 12.71 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.741 -0.742 . . . . 44.44 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 55.04 110.854 -179.75 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.319 . . . . 73.53 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 39.5 tpp -107.84 83.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 62.21 110.851 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.29 139.74 30.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.874 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.61 134.48 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 42.21 111.094 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 87.36 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.887 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -101.16 132.65 46.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.52 110.951 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.57 154.14 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.844 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.687 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.4 m-85 -57.22 -25.94 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.918 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -56.56 -47.82 78.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 70.15 110.94 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.56 -30.06 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 64.53 110.927 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 8' ' ' TYR . 79.5 mt -66.8 -23.01 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 62.14 111.135 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 59' ' ' LEU . 13.6 mt -111.31 -15.0 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 63.01 110.897 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.25 40.78 18.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 65.52 112.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 m -126.03 152.62 73.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 60.43 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.0 Cg_endo -69.86 174.88 8.95 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.24 . . . . 73.33 112.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -78.83 -8.03 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.898 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -114.8 5.2 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 63.53 110.874 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.564 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.43 159.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.2 111.1 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 p -107.51 158.0 17.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.15 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -52.98 -28.44 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.901 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -75.25 -49.87 17.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.885 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -61.52 -33.83 74.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.817 HD13 ' HB3' ' A' ' 59' ' ' LEU . 86.1 mt -67.8 -32.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 72.32 111.168 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -63.67 -38.69 92.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.879 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -71.85 -46.89 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.9 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.55 111.136 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -72.72 -34.76 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.911 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -75.08 -47.74 27.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.7 -34.15 72.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 74.14 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.94 -40.89 65.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.31 -45.42 84.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.21 111.114 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -56.84 -24.76 53.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.77 -40.43 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 62.0 110.931 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CD2' HD11 ' A' ' 52' ' ' LEU . 84.1 m-85 -100.63 23.67 10.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 160.41 36.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 73.44 110.872 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.68 31.38 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.734 2.289 . . . . 60.33 112.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -78.57 -22.09 47.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.891 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.6 p -105.11 1.52 28.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 73.32 111.112 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -79.55 -4.42 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 51.44 110.856 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -40.32 59.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 52.02 110.926 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -118.48 18.76 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.848 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.85 81.02 8.58 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 71.33 110.878 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.27 . . . . 70.23 112.329 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.35 -19.29 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.907 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.3 -36.4 68.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 72.04 111.093 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -56.96 -42.56 80.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 72.23 110.893 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -66.41 -38.06 86.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.912 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt -70.93 -36.04 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 71.25 110.899 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.7 t80 -59.15 -32.12 69.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -65.8 -33.38 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.87 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -62.39 -33.74 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 63.4 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 30' ' ' LEU . 13.2 mt -60.36 -47.88 84.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 51.24 110.908 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.74 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 51.52 111.107 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.39 -50.38 67.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.687 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.88 -39.36 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 42.43 111.137 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.702 ' HA ' HD11 ' A' ' 12' ' ' LEU . 27.4 t80 -62.68 -26.86 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.938 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.46 -46.66 89.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 65.3 110.897 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 65' ' ' ARG . 28.0 t -75.0 -40.73 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.24 111.149 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.994 HD12 HD12 ' A' ' 12' ' ' LEU . 30.0 mt -74.27 -7.89 54.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.1 110.91 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 t -73.74 -17.01 61.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -138.02 130.22 28.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 55.11 110.909 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.41 -38.71 71.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.42 -51.1 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.113 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -63.01 -45.05 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 63.32 110.92 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.626 ' HA ' HG12 ' A' ' 58' ' ' VAL . 43.9 ttp180 -63.01 -45.04 94.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.912 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -63.65 -44.15 94.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.895 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.03 -47.44 85.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.909 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -65.72 -30.77 71.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.893 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.32 -27.68 68.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 60.15 110.875 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.79 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.21 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -115.43 26.33 10.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.911 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.56 137.41 14.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 72.41 112.485 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 71.24 110.914 -179.757 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 72.25 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.4 mtp -63.39 123.51 18.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 73.32 110.856 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.01 148.81 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 72.54 110.899 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.79 140.43 30.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 61.12 111.09 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.92 116.52 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.905 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -80.3 139.36 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 74.03 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -82.61 152.47 25.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 61.34 110.888 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.699 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 10.2 m-85 -57.05 -25.76 59.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.927 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -56.76 -48.17 78.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 62.33 110.941 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.82 -31.15 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 74.02 110.886 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 8' ' ' TYR . 75.2 mt -65.38 -22.94 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 73.44 111.119 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.997 HD12 HD12 ' A' ' 59' ' ' LEU . 14.7 mt -111.49 -15.08 13.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.937 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.26 40.93 18.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 54.51 112.501 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.14 152.43 73.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 72.31 111.168 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.9 Cg_endo -69.71 174.48 9.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.662 2.241 . . . . 65.12 112.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.9 mtt-85 -78.82 -8.01 58.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.872 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -115.21 6.18 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.542 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.22 161.34 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.54 111.089 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 m -107.62 155.29 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 60.44 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -53.02 -28.65 25.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.933 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -77.96 -40.85 38.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.886 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -69.6 -30.14 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.837 HD13 ' HB3' ' A' ' 59' ' ' LEU . 88.7 mt -71.25 -32.67 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.33 111.099 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -62.86 -39.95 95.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.885 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -70.09 -45.09 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.927 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -31.0 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 62.01 111.105 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -72.82 -34.68 67.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.943 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -75.24 -47.61 27.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 65.4 110.926 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -59.62 -34.58 72.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.86 -41.37 64.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.458 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -39.42 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.08 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.93 -20.24 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 63.34 110.916 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -79.96 -41.78 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.22 110.871 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.519 ' CD2' HD11 ' A' ' 52' ' ' LEU . 77.3 m-85 -97.64 19.0 14.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.941 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.55 160.59 9.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 74.13 110.834 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.66 33.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.272 . . . . 73.23 112.328 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -78.57 -19.03 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.41 110.865 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -110.24 10.15 23.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.32 111.136 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.4 m-80 -91.49 13.2 18.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -40.58 93.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.896 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -118.6 15.32 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 72.42 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -142.44 81.11 14.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 74.54 110.9 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -7.71 21.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 63.41 112.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -19.32 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.88 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.31 -35.47 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 53.41 111.12 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -65.32 -38.34 89.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.889 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -70.87 -34.3 71.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 73.45 110.937 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.458 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.3 t80 -59.45 -32.56 70.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 62.52 110.907 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.7 t -64.79 -32.85 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.862 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.7 -32.93 74.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 61.24 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 34' ' ' TYR . 18.4 mt -60.06 -46.28 90.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.872 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.93 72.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 41.25 111.079 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.97 -50.31 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.911 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.85 -39.73 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 60.1 111.091 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.69 ' HA ' HD11 ' A' ' 12' ' ' LEU . 24.2 t80 -62.4 -27.02 68.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.927 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.62 -46.69 88.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 55.32 110.917 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 65' ' ' ARG . 59.2 t -74.84 -40.79 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 71.22 111.111 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.997 HD12 HD12 ' A' ' 12' ' ' LEU . 28.8 mt -74.22 -7.88 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.44 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -15.35 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 53.13 110.843 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.96 138.06 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.24 110.915 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.32 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.43 110.854 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.09 -50.24 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.178 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -62.74 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.44 110.876 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 58' ' ' VAL . 29.8 ttp180 -65.76 -48.27 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.893 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -60.96 -44.63 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 70.11 110.886 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -59.1 -40.66 86.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.12 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -68.13 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.94 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.36 -28.97 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 73.34 110.859 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.77 -27.9 69.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 60.15 111.112 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.15 -14.41 18.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.39 162.16 50.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 74.43 112.452 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 62.55 110.807 -179.738 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.725 0.298 . . . . 71.45 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 mmm -137.74 155.27 49.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.833 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.77 125.07 25.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.9 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.39 142.7 48.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.04 111.075 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -122.24 120.88 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.936 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -103.91 142.33 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -117.68 151.59 36.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 64.42 110.844 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.717 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.6 m-85 -55.62 -29.43 59.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.931 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -52.52 -48.83 65.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 61.24 110.917 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -73.83 -32.09 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 8' ' ' TYR . 74.4 mt -63.73 -23.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.085 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.986 HD12 HD12 ' A' ' 59' ' ' LEU . 16.6 mt -111.47 -14.47 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 63.4 110.932 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.31 39.92 21.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 40.54 112.454 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -124.74 152.41 69.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.633 0.73 . . . . 54.34 111.136 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.0 Cg_endo -69.75 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 73.54 112.326 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -78.89 -7.28 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 71.03 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -111.42 1.66 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.38 158.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 55.3 111.124 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -107.48 159.7 16.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 42.54 110.846 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -54.2 -27.29 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 62.05 110.869 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -49.84 18.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 71.42 110.928 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -61.76 -35.92 79.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.875 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.847 HD13 ' HB3' ' A' ' 59' ' ' LEU . 88.8 mt -65.53 -32.86 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 62.24 111.125 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -62.98 -40.26 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.881 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.25 -47.61 64.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 70.53 110.866 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.74 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 61.23 111.109 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -72.51 -34.82 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 62.34 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -74.81 -47.81 28.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 71.41 110.973 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.61 -34.82 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 72.43 110.956 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.68 HD23 HD22 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -72.88 -41.42 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 71.34 110.93 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.05 82.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.065 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -57.3 -23.4 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 71.42 110.922 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.14 110.89 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CD2' HD11 ' A' ' 52' ' ' LEU . 71.4 m-85 -111.11 25.19 12.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 160.14 5.2 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 74.51 110.895 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -15.07 36.99 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 71.31 112.331 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -68.33 -23.83 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.902 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -110.42 5.0 21.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.25 111.143 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.69 -12.86 53.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 70.31 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -40.33 58.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 64.03 110.905 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.35 19.16 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.4 110.922 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -140.19 81.73 17.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 72.04 110.82 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -7.88 22.19 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.715 2.276 . . . . 75.42 112.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -22.71 18.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.878 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.43 93.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 64.22 111.101 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -56.91 -31.32 64.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 55.24 110.891 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -73.93 -40.6 62.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.879 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -70.87 -37.51 73.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.907 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -58.77 -33.61 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 t -59.06 -32.83 70.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 70.11 110.874 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -65.09 -33.78 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.68 HD22 HD23 ' A' ' 30' ' ' LEU . 15.3 mt -65.36 -53.07 48.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.901 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.79 -50.23 74.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.902 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.717 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.59 -42.91 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 61.53 111.12 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.579 ' HA ' HD11 ' A' ' 12' ' ' LEU . 18.3 t80 -59.3 -26.91 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 65.3 110.906 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.94 -48.7 80.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.905 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 65' ' ' ARG . 22.4 t -74.89 -39.23 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 74.53 111.095 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.986 HD12 HD12 ' A' ' 12' ' ' LEU . 34.9 mt -74.31 -7.88 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.936 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -75.12 -16.15 60.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.05 132.21 31.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 74.14 110.845 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.05 -43.89 78.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 71.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 t -58.76 -50.8 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.133 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -62.54 -46.55 87.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.41 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.652 ' HA ' HG12 ' A' ' 58' ' ' VAL . 31.9 ttp180 -60.57 -43.76 96.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.861 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -65.53 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.941 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -59.08 -38.84 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 64.11 110.928 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -70.37 -37.13 74.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 60.24 110.909 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.41 -26.49 68.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.896 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.42 -28.28 69.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 60.03 111.079 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -109.18 27.22 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 71.5 110.92 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.21 163.51 12.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 64.52 112.466 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 61.12 110.856 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.757 0.313 . . . . 75.34 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 69.9 mtm -127.14 164.91 20.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 60.4 110.895 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 117.34 22.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.877 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.53 134.04 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 43.45 111.135 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -99.99 138.2 37.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 63.04 110.862 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -98.89 135.8 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.926 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.6 146.84 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 64.41 110.882 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.726 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 16.1 m-85 -60.12 -25.3 65.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.936 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -51.86 -49.01 63.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -70.09 -41.53 73.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.7 mt -58.23 -22.72 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.3 111.132 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.935 HD13 HG23 ' A' ' 23' ' ' ILE . 8.8 mt -107.66 -15.45 14.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.922 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.22 23.61 65.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 52.23 112.486 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 m -110.79 152.52 43.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.71 . . . . 50.22 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.571 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.81 175.74 7.74 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.708 2.272 . . . . 71.01 112.323 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mmm-85 -78.78 -8.85 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 51.41 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -111.81 2.4 17.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.571 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.55 156.78 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 52.22 111.117 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -107.47 168.9 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.871 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.685 ' HA ' HD12 ' A' ' 23' ' ' ILE . 5.9 mm100 -60.57 -26.34 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.926 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -75.52 -47.27 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.922 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.03 -38.83 92.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 64.35 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.935 HG23 HD13 ' A' ' 12' ' ' LEU . 17.7 mt -59.33 -35.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.33 111.153 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.34 110.917 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -72.33 -47.88 46.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.883 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 63.34 111.09 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -72.68 -34.67 67.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 71.45 110.919 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -75.41 -47.73 26.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 73.22 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -59.59 -34.16 72.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.3 mp -72.95 -41.73 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.943 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.72 -38.93 76.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 63.31 111.078 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -62.46 -23.06 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -77.87 -36.37 49.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.874 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.504 ' CD2' HD11 ' A' ' 52' ' ' LEU . 83.0 m-85 -104.29 22.23 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 64.51 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.32 160.72 30.32 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 75.23 110.913 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -11.07 30.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 74.33 112.328 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -78.29 -20.68 51.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.851 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.6 p -110.22 10.15 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.18 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.3 m-80 -91.09 12.38 20.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 71.02 110.905 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.58 92.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.52 110.89 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -118.55 15.17 13.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 64.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -141.38 81.18 15.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.615 0.722 . . . . 75.52 110.889 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.75 21.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.248 . . . . 73.43 112.327 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -94.66 -19.8 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.51 110.899 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.53 -38.98 72.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 65.11 111.083 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -57.11 -41.72 79.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.941 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.98 -38.11 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -71.13 -34.24 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 51.43 110.916 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.445 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 43.9 t80 -59.18 -33.92 71.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.907 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -64.02 -33.64 76.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.53 110.872 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -63.65 -30.56 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 52.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 34' ' ' TYR . 17.3 mt -63.37 -52.8 60.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.901 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 35.2 111.1 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -63.96 -50.18 69.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.726 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.47 -39.49 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 63.34 111.115 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.729 ' HA ' HD11 ' A' ' 12' ' ' LEU . 23.1 t80 -66.93 -26.92 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 65.34 110.893 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.66 -49.98 75.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.22 110.826 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.691 HG13 ' HB3' ' A' ' 64' ' ' LYS . 77.3 t -74.15 -38.9 49.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 63.34 111.107 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 12' ' ' LEU . 3.9 mp -73.49 -7.5 52.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 54.35 110.89 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -73.75 -17.13 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.835 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -131.77 141.44 49.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 52.42 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.2 -38.74 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 63.1 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.2 t -61.88 -54.06 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 51.53 111.13 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.691 ' HB3' HG13 ' A' ' 58' ' ' VAL . 30.2 mtmm -62.87 -46.71 86.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.15 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -56.91 -41.95 79.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.31 110.85 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -67.33 -40.53 85.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 74.42 110.89 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.84 -47.97 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 63.23 110.91 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.57 -33.21 75.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -61.48 -33.24 73.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.87 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 73.4 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.24 27.38 9.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 60.32 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.52 146.75 16.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 61.51 112.502 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 72.35 110.89 -179.735 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 64.9 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 65.2 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.93 178.9 4.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 64.43 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mp -69.69 131.05 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.1 110.921 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.33 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.118 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -84.23 100.22 11.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 63.13 110.836 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -77.7 140.59 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 64.01 110.883 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.31 152.79 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.824 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' HA ' HD12 ' A' ' 11' ' ' ILE . 23.9 m-85 -51.89 -35.45 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.908 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -51.24 -48.52 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.957 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.9 -40.39 75.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 75.5 110.924 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 8' ' ' TYR . 68.2 mt -59.14 -33.29 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.146 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.821 HD11 ' HA ' ' A' ' 56' ' ' TYR . 8.0 mt -94.38 -15.56 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.11 25.15 62.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 73.33 112.519 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.07 152.7 44.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 72.13 111.183 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.663 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.7 Cg_endo -69.77 175.63 7.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 70.51 112.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -9.11 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.55 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -115.16 6.72 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 65.33 110.9 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -57.98 160.79 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 52.43 111.09 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -107.63 171.62 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.636 ' HA ' HD12 ' A' ' 23' ' ' ILE . 9.7 mm100 -64.34 -26.32 68.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.925 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.21 -41.25 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 61.34 110.874 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -66.66 -28.76 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.23 110.874 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 20' ' ' GLN . 23.1 mt -72.26 -34.37 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.109 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -60.46 -41.22 93.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.87 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -74.05 -48.0 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.79 70.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.119 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.23 -34.68 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.41 -48.26 28.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 72.43 110.874 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -59.79 -34.48 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 71.34 110.904 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HB3' HD22 ' A' ' 52' ' ' LEU . 1.2 mp -72.86 -41.76 64.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.917 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.33 -42.97 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.21 111.107 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -57.94 -22.5 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 71.13 110.925 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -75.54 -35.72 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.875 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 52' ' ' LEU . 50.9 m-85 -113.88 26.01 10.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 71.4 110.93 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 159.98 4.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 72.31 110.879 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -22.92 31.59 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.693 2.262 . . . . 63.1 112.365 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.74 -21.98 64.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.7 p -110.26 5.73 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 75.21 111.163 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -86.11 -6.52 59.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 60.41 110.866 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -40.38 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.922 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.43 15.7 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 75.52 110.83 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -136.86 81.44 33.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.628 0.727 . . . . 42.12 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.715 2.277 . . . . 73.24 112.295 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -93.3 -22.71 18.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.01 110.875 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.37 89.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 62.21 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -56.95 -32.3 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -73.55 -43.87 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 63.54 110.902 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -68.8 -34.06 74.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.29 -32.86 74.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 75.34 110.884 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.7 t -58.49 -36.06 73.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 30.23 110.845 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -64.71 -27.4 68.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.901 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 30' ' ' LEU . 38.8 mt -66.22 -52.86 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 61.23 110.916 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.53 85.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.109 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.95 -47.9 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.894 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.19 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.085 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.821 ' HA ' HD11 ' A' ' 12' ' ' LEU . 28.9 t80 -71.8 -26.79 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.88 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.47 -49.85 75.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 64' ' ' LYS . 21.9 t -74.69 -42.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.134 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.509 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.2 mm? -68.26 -11.81 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.874 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 t -73.73 -12.92 60.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 62.41 110.854 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -137.23 137.16 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.888 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.18 -40.46 97.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 62.04 110.904 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.28 -49.98 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.149 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HB3' HG13 ' A' ' 58' ' ' VAL . 12.1 mtpp -63.53 -44.12 95.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 72.04 110.865 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HA ' HG12 ' A' ' 58' ' ' VAL . 2.8 ttt180 -63.89 -41.27 97.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.859 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -63.96 -46.06 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -60.54 -49.1 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.886 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -67.65 -29.07 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.927 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.76 -26.32 66.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 74.23 110.857 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.86 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 53.31 111.096 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -96.44 26.39 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 73.13 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.35 -172.48 35.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 73.51 112.483 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 72.42 110.882 -179.744 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.775 0.321 . . . . 74.21 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -70.48 175.53 4.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.873 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -80.45 124.61 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.22 110.946 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -88.16 143.04 27.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 30.24 111.115 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -128.54 117.99 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.89 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.73 150.22 40.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 72.15 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -103.98 169.9 8.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 64.21 110.881 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 11' ' ' ILE . 17.6 m-85 -61.81 -32.22 72.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.956 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -51.83 -40.82 61.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -75.48 -40.79 56.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 64.11 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 8' ' ' TYR . 57.2 mt -59.39 -21.85 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 42.12 111.159 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.793 HD13 HG23 ' A' ' 23' ' ' ILE . 16.2 mt -108.1 -16.77 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 64.53 110.869 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.29 25.43 61.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 65.54 112.491 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.2 m -110.93 152.58 43.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 63.14 111.108 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 53.5 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 63.23 112.314 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -8.65 58.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.922 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -113.68 4.83 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.541 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . . . -53.32 160.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 51.11 111.075 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -107.52 159.74 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.806 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.783 ' HA ' HD12 ' A' ' 23' ' ' ILE . 6.0 mm100 -56.13 -27.56 54.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 74.14 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -78.06 -46.49 20.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -63.17 -30.22 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 63.42 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 12' ' ' LEU . 16.8 mt -67.03 -32.78 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 65.21 111.108 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -61.98 -40.72 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.861 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -67.87 -48.14 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 75.13 110.9 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.9 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 53.31 111.122 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -72.84 -34.98 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 42.33 110.915 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -76.96 -47.4 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.952 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 74.42 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 52' ' ' LEU . 1.6 mp -75.56 -40.98 55.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 62.01 110.901 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -57.48 -41.54 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 71.41 111.062 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -61.18 -20.12 62.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -80.99 -38.72 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 61.12 110.9 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD2' HD11 ' A' ' 52' ' ' LEU . 85.1 m-85 -102.3 21.53 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.2 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.74 160.63 18.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 71.44 110.835 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.65 33.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 73.44 112.301 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -78.42 -19.71 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 62.54 110.838 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -109.39 10.27 25.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 63.44 111.118 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 1.5 m-80 -91.62 13.34 18.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.856 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -40.59 93.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.883 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.67 15.02 13.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.832 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -141.86 81.32 14.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 71.1 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.67 21.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 74.25 112.358 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -94.62 -19.61 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 75.02 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . . . -56.27 -36.51 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 64.12 111.091 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -58.38 -42.95 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.902 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -65.66 -37.46 86.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 64.1 110.887 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.96 -34.38 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 43.34 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 42.1 t80 -58.79 -38.86 79.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -60.86 -35.05 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.35 110.842 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.21 -29.18 69.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.956 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.538 ' CD2' HD23 ' A' ' 30' ' ' LEU . 17.2 mt -64.88 -48.51 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.884 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.07 -33.3 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.12 111.141 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.37 -50.22 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' A' ' 8' ' ' TYR . . . -71.57 -40.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.147 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.765 ' HA ' HD11 ' A' ' 12' ' ' LEU . 38.4 t80 -61.54 -28.27 69.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.943 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.66 -45.55 93.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 73.02 110.891 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG13 ' HB3' ' A' ' 64' ' ' LYS . 89.0 t -74.89 -42.22 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.108 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.757 HD22 HD12 ' A' ' 12' ' ' LEU . 3.6 mp -73.51 -8.11 54.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 70.12 110.947 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -73.53 -15.51 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 64.1 110.827 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.34 134.14 39.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.892 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.05 -42.43 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 73.14 110.873 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.22 -51.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HB3' HG13 ' A' ' 58' ' ' VAL . 24.4 mtpt -62.33 -46.67 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.925 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -60.36 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -63.0 -41.12 99.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 63.42 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -59.05 -41.89 88.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.41 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.18 -37.04 66.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.948 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.35 -26.83 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 54.14 110.884 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.32 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.13 111.073 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -105.58 26.38 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 74.5 110.929 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.52 -167.47 39.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 61.41 112.467 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 64.12 110.858 -179.727 . . . . . . . . 0 0 . 1 stop_ save_