data_2khf_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2khf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 62.23 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -51.4 -33.58 30.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -53.44 57.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 74.14 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -67.19 -27.95 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.96 -32.29 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -64.55 -53.8 42.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 75.35 110.953 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -67.17 -31.9 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -57.1 -23.43 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 72.42 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -76.88 -53.18 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.944 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -23.93 63.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.857 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -51.69 -30.89 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 70.2 110.938 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.76 -30.78 14.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 75.2 112.512 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 64.04 110.885 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.45 -26.55 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.15 110.929 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.09 -25.76 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 64.52 110.877 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.9 -20.47 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.44 112.442 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.33 -24.41 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 75.31 110.877 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.29 39.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 71.42 111.128 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.81 -41.08 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 72.44 112.487 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -53.82 -44.65 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 73.14 110.907 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.99 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.127 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.85 -21.73 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.155 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.873 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 64.22 111.08 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -56.41 -24.98 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.926 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -48.11 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 72.24 110.936 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -69.12 -22.31 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.911 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -83.8 -52.39 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.857 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -52.63 -47.67 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.931 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.7 p -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.865 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.3 t -56.68 -22.28 33.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.865 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -84.1 -50.56 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.908 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -65.73 -33.0 74.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -72.41 -25.98 61.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 74.54 110.899 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.91 -31.12 21.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 72.11 112.496 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -80.06 -28.83 39.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 64.11 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -24.04 67.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.926 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -55.73 -25.86 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.887 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.79 -16.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 64.12 112.493 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.88 -24.32 67.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 62.43 110.87 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.47 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.34 -49.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 63.12 112.536 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -52.92 -46.69 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.41 110.873 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.65 -20.9 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 63.13 111.119 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mm -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.41 111.131 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 72.2 111.088 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.74 -29.54 19.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -66.06 -44.39 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -70.18 -29.05 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -77.96 -53.75 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -57.67 -56.24 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.943 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -52.11 -39.09 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.858 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -57.24 -38.93 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.57 -33.38 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.934 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -43.39 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.857 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -66.49 -28.89 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.72 -30.89 46.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.753 . . . . 64.24 112.539 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.03 -35.2 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 72.01 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.72 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.908 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -59.4 -26.2 64.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.867 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.61 -18.55 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 60.41 112.47 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.61 -23.97 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 74.11 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.85 -25.16 40.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.41 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.24 -43.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 64.43 112.493 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -55.63 -25.97 41.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 73.45 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.76 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.079 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.17 -22.91 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.1 111.129 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.897 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.75 0.309 . . . . 63.22 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -61.13 -29.47 69.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.908 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -42.67 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.9 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 -36.13 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 64.15 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -71.99 -51.1 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.845 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -58.88 -57.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 t -51.95 -37.93 54.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 64.03 110.827 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -57.05 -37.79 72.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.798 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.26 -33.74 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.951 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -43.56 63.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.865 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.28 -29.83 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.27 -30.65 45.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.723 . . . . 72.13 112.482 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -79.19 -36.87 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 61.22 110.917 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -26.34 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.882 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.65 -26.08 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.837 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.44 -19.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 74.24 112.462 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.25 -26.82 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 74.11 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.11 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.13 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.5 -28.38 1.46 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 71.53 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -23.13 58.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 73.42 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -17.94 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 52.31 111.119 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.57 -1.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.44 111.108 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 71.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.752 0.31 . . . . 71.13 111.078 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.7 -29.62 18.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.902 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.98 -44.3 85.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -70.28 -29.37 66.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -77.54 -53.61 7.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 73.4 110.887 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -57.66 -56.3 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -52.12 -39.0 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 73.24 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -57.28 -38.94 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.6 -33.36 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.898 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -43.47 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.22 110.907 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -66.4 -28.63 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.64 -31.02 37.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 60.53 112.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -79.99 -31.62 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 74.23 110.923 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -26.56 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.944 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.09 -26.6 66.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 75.54 110.875 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.26 -18.56 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.54 112.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -61.52 -18.74 60.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 74.42 110.914 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.11 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 72.14 111.09 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.05 -38.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 64.01 112.483 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -65.13 -25.96 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 74.42 110.819 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.4 -22.25 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.45 111.123 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mp -100.68 0.73 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 65.15 111.119 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.875 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.753 0.311 . . . . 72.24 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -51.84 -29.28 18.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.963 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -39.71 95.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.908 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -70.05 -39.51 75.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.878 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -70.29 -51.12 32.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -51.51 -49.43 61.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.923 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.3 p -66.9 -27.92 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.795 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.834 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.08 -46.46 9.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.899 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.18 -22.3 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -53.09 -29.77 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -28.77 17.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 71.12 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -75.35 -27.1 59.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 72.3 110.888 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -26.42 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.941 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.22 -26.24 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 74.31 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.08 -19.64 1.76 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 73.3 112.5 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.79 -24.02 61.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 74.24 110.87 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.81 -25.11 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.42 111.108 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.14 -38.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 74.11 112.543 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -57.11 -28.25 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 74.24 110.886 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.29 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 73.42 111.084 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mm -96.24 25.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.102 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.762 0.315 . . . . 71.21 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -52.11 -27.68 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -46.85 81.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 74.14 110.884 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -70.54 -38.38 74.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 65.03 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.62 -53.21 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.956 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -67.05 -30.38 70.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.881 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -60.14 -19.66 54.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 54.25 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -80.79 -48.57 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.53 110.912 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -63.26 -19.15 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.32 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -54.51 -32.9 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.88 -24.91 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 73.42 112.505 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.56 -30.81 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 71.35 110.923 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -26.38 66.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -62.35 -26.39 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 -20.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 72.53 112.508 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.62 -24.85 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 73.2 110.878 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.99 41.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.62 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 65.42 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.96 -31.9 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 74.54 110.869 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.53 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.068 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mt -85.59 -14.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.44 111.154 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.857 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.775 0.321 . . . . 72.35 111.112 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.9 -29.39 19.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -40.11 96.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.897 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -71.24 -52.49 18.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 74.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -51.43 -52.19 48.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 72.01 110.927 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -61.26 -32.49 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -68.88 -15.0 63.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.98 -51.37 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 74.2 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -51.86 -28.79 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -51.06 -31.12 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.31 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.05 -26.81 33.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 74.55 112.524 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -79.81 -28.8 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 71.4 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -26.39 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 73.53 110.911 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.46 -26.29 68.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.866 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.17 -20.7 1.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 72.44 112.489 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.59 -24.83 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 62.52 110.885 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.05 -24.88 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.45 111.084 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.69 -42.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 70.21 112.46 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -26.04 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 75.15 110.837 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.78 -20.63 63.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.21 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.04 -21.95 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 72.05 111.128 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.904 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.775 0.321 . . . . 72.42 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.84 -24.91 62.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -42.75 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 75.31 110.883 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -69.79 -37.61 76.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.34 -49.76 52.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -51.74 -51.33 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.875 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.87 -32.22 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 72.14 110.848 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -20.85 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.56 -48.1 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 71.23 110.935 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -69.1 -33.17 73.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.868 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -72.35 -25.9 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.934 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.11 22.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 70.45 112.476 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.89 -31.79 40.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.55 110.897 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -26.04 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.918 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.96 -26.19 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.08 1.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.444 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -63.04 -23.78 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 75.34 110.898 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.2 -27.02 31.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 72.51 111.085 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.25 -35.8 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 74.34 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -56.26 -42.06 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 65.3 110.823 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -17.04 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 54.42 111.132 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.72 -11.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.121 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.934 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.856 0.36 . . . . 74.24 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -51.89 -35.64 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.953 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -57.54 -47.36 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.896 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.72 -36.91 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.49 -54.66 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.92 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -51.77 -58.82 5.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -53.19 -38.0 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.869 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -56.38 -39.29 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 72.3 110.898 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.4 -37.38 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 75.52 110.922 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -49.49 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.868 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -51.95 -30.05 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.912 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.34 38.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 53.33 112.502 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -79.78 -29.36 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 74.3 110.869 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -26.44 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 62.42 110.938 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.68 -26.17 66.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 62.12 110.871 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.58 1.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.21 112.468 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.64 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 63.43 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -25.02 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.7 -43.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 74.22 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -33.71 64.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 74.12 110.893 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.25 -20.69 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 75.45 111.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.93 -20.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.124 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.877 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.766 0.317 . . . . 73.51 111.118 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -51.51 -27.87 11.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -45.29 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 73.35 110.876 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.76 -39.81 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 71.45 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.24 -49.13 78.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.55 -52.48 46.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.929 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p -66.92 -30.22 70.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.868 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -60.78 -18.93 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 73.22 110.898 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -81.58 -50.62 9.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.925 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -59.44 -21.45 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.865 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -51.73 -32.55 30.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.73 -30.78 8.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 74.15 112.488 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -69.3 -36.68 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 75.55 110.882 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -26.4 65.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.927 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -61.41 -26.17 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 72.23 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.28 -19.54 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 65.21 112.519 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.58 -27.02 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.343 . . . . 74.5 110.883 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.22 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.42 111.124 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.01 -27.48 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 73.1 112.534 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -76.01 -24.89 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 71.34 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.34 52.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.104 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.81 -19.33 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 74.01 111.131 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 71.1 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.31 . . . . 72.34 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -61.32 -28.67 69.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.87 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -42.49 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 75.31 110.919 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -69.65 -36.14 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.887 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -72.42 -50.66 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.899 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -51.62 -48.26 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.44 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.864 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -68.5 -15.03 63.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.35 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -85.26 -48.72 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 75.05 110.895 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.57 -30.63 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.78 -32.6 65.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.869 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.42 -26.83 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 63.32 112.481 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.73 -30.93 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 73.1 110.901 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -28.49 66.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.937 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.56 -26.54 68.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 61.43 110.822 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.42 -19.69 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 72.24 112.462 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.86 -27.1 50.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 75.15 110.883 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.12 48.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.12 -27.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 72.23 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -75.86 -23.25 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 74.44 110.855 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.47 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 52.41 111.107 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -97.45 1.53 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 73.34 111.095 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.736 0.303 . . . . 70.35 111.048 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -64.49 -35.86 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -40.05 73.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -69.85 -25.06 63.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -85.69 -53.21 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.01 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -60.6 -55.39 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -53.05 -37.74 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.841 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.66 -37.09 72.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.839 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.15 -33.5 24.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.939 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -43.36 63.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -66.18 -29.95 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.73 -30.27 36.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 54.53 112.491 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.17 -33.46 50.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 74.22 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -26.42 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.948 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -26.31 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 52.44 110.822 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.27 -20.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 70.21 112.505 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.84 -24.57 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 73.43 110.875 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.6 -28.79 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 64.23 111.071 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.22 -33.56 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 74.05 112.46 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -52.69 -37.67 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 74.31 110.857 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.09 56.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 64.31 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mt -85.74 -15.15 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.162 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 71.35 110.882 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.787 0.327 . . . . 72.12 111.106 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -51.61 -30.04 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 63.2 110.872 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -52.06 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 75.12 110.943 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -68.64 -28.96 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.913 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -69.18 -31.97 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 65.44 110.855 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -64.27 -52.85 56.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.889 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.4 p -67.17 -30.61 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 75.21 110.819 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -62.52 -17.45 59.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 75.32 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.41 -41.59 24.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -22.54 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.88 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -70.93 -10.2 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.2 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.37 -19.99 9.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 71.32 112.503 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.52 -41.8 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 75.32 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.07 -26.19 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 63.32 110.905 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -27.27 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.854 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.99 -19.17 1.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 54.44 112.466 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -58.12 -24.46 58.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 71.52 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.08 -24.83 42.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.04 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.54 -41.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 75.21 112.527 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -55.36 -26.37 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 75.53 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.76 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.15 111.156 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mt -73.08 -22.93 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 74.32 111.164 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.55 110.861 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.723 0.297 . . . . 74.3 111.051 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -51.56 -30.4 20.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -52.79 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.934 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -66.32 -32.03 73.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.854 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.01 -29.4 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.74 -53.76 42.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 75.14 110.911 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.845 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.78 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.869 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.1 -58.52 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -34.17 73.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.886 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -51.25 -34.43 32.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.908 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.82 -31.14 21.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 54.43 112.457 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.64 -28.8 61.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 74.02 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -68.97 -25.88 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.53 110.883 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -59.21 -25.82 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.37 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 72.02 112.422 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -60.41 -20.1 58.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 65.31 110.913 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.91 -24.73 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 74.41 111.118 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.61 -38.08 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 75.54 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.52 -40.11 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 73.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.79 -21.96 57.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 63.04 111.137 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.93 6.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.106 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.837 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 74.14 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -60.31 -36.25 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -36.44 79.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 70.21 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -70.6 -26.02 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.53 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -87.96 -50.76 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -60.41 -49.67 76.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.9 p -61.49 -34.93 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.855 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -57.53 -32.94 67.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.83 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.61 -36.61 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -48.54 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.89 -30.83 25.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.23 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 -30.01 30.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 74.51 112.466 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.35 -38.96 49.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.362 . . . . 73.52 110.865 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -26.6 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.902 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.89 -26.27 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.62 -21.15 2.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 61.24 112.479 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.1 -24.27 52.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 71.52 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.01 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.069 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.35 -41.69 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.01 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -57.93 -24.87 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 74.35 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.38 -16.3 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.129 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.4 mt -96.18 -6.79 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 73.23 111.119 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.01 110.882 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.773 0.321 . . . . 71.31 111.063 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -55.58 -36.35 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.944 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.16 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.869 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -70.54 -31.57 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 62.1 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -80.93 -50.4 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 65.42 110.878 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.9 -53.57 55.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 75.13 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -56.08 -36.55 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 63.31 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.05 -34.54 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.01 110.849 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.73 -36.17 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 74.12 110.92 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.56 -47.57 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.928 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -52.72 -31.44 37.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.948 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.67 -29.93 34.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.508 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -79.63 -26.49 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 75.34 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -26.23 65.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 75.25 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.28 -26.12 68.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.3 -20.37 1.9 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 54.12 112.481 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.83 -24.73 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 72.44 110.873 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.0 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.24 111.095 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.39 -45.13 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 72.42 112.53 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -56.1 -41.05 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 71.22 110.887 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.22 -6.3 49.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 64.22 111.094 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mm -94.85 25.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 72.24 111.159 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.918 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.794 0.331 . . . . 52.12 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.8 -29.81 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.914 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -44.96 89.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -70.06 -34.45 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.938 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -71.87 -49.89 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.04 110.926 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -51.88 -50.57 60.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.897 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -66.96 -35.22 79.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.884 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -57.49 -23.42 49.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.896 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -84.75 -32.37 23.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -24.32 64.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.842 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -72.77 -26.68 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.928 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -30.99 16.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 74.41 112.494 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -79.88 -29.92 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 72.22 110.94 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.48 -26.52 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.875 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.834 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.15 -20.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 63.32 112.485 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.02 -21.91 59.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 74.41 110.922 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.29 -25.23 32.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.079 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.81 -36.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 62.43 112.487 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.76 -29.53 40.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 72.12 110.889 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.24 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.089 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.45 111.131 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.868 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.771 0.319 . . . . 63.01 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -51.47 -29.85 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.908 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -62.76 -45.36 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.907 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.58 -36.43 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.84 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -63.07 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -51.85 -53.57 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 71.21 110.929 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -67.25 -31.02 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 74.31 110.833 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -59.23 -20.6 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.889 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -79.7 -50.27 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 71.2 110.897 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -22.73 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.924 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -51.71 -32.2 29.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.856 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.67 -27.99 11.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 65.14 112.495 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -72.1 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 74.31 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -26.34 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.893 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -26.23 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.892 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.1 -21.36 1.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 71.21 112.46 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.0 -24.42 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 73.25 110.876 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -24.92 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.36 -33.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 45.42 112.496 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.9 -26.63 68.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 71.1 110.918 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.67 -55.04 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.098 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 pt -72.71 -8.07 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.172 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.865 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.76 0.314 . . . . 75.21 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -63.64 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -40.94 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.94 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -69.61 -28.77 66.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.23 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -81.1 -52.01 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.874 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -51.72 -46.65 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -33.86 76.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 62.42 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -68.81 -15.2 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.798 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mt -88.39 -50.95 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 72.3 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -52.06 -28.59 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -51.08 -33.21 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 71.14 110.903 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.12 38.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 54.34 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -80.05 -26.27 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.31 110.888 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.58 -16.48 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -57.62 -28.43 63.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 72.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.24 -4.12 4.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.7 -32.16 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 73.45 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.41 -18.51 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.094 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.08 -32.04 2.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 64.32 112.494 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.74 -38.49 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 72.14 110.871 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -14.05 60.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.33 111.115 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 mm -94.87 25.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.541 -0.224 . . . . 52.4 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.34 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 62.23 111.122 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -51.4 -33.58 30.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -53.44 57.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 74.14 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -67.19 -27.95 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.96 -32.29 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -64.55 -53.8 42.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 75.35 110.953 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -67.17 -31.9 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -57.1 -23.43 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 72.42 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -76.88 -53.18 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.944 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -23.93 63.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.857 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -51.69 -30.89 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 70.2 110.938 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.76 -30.78 14.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 75.2 112.512 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 64.04 110.885 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.45 -26.55 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.15 110.929 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.09 -25.76 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 64.52 110.877 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.9 -20.47 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.44 112.442 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.33 -24.41 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 75.31 110.877 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.29 39.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 71.42 111.128 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.81 -41.08 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 72.44 112.487 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -53.82 -44.65 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 73.14 110.907 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.99 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.127 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.85 -21.73 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.155 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.89 25.67 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.873 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.875 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.252 . . . . 70.4 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.52 -35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 64.22 111.08 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -56.41 -24.98 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.926 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -48.11 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 72.24 110.936 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -69.12 -22.31 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.911 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -83.8 -52.39 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.857 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -52.63 -47.67 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.931 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.7 p -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.865 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.3 t -56.68 -22.28 33.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.865 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -84.1 -50.56 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.908 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -65.73 -33.0 74.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -72.41 -25.98 61.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 74.54 110.899 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.91 -31.12 21.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 72.11 112.496 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -80.06 -28.83 39.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 64.11 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -24.04 67.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.926 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -55.73 -25.86 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.887 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.79 -16.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 64.12 112.493 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.88 -24.32 67.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 62.43 110.87 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.47 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.34 -49.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 63.12 112.536 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -52.92 -46.69 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.41 110.873 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.65 -20.9 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 63.13 111.119 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mm -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 65.41 111.131 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.91 25.62 6.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.861 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.857 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 71.24 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.56 -16.02 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 72.2 111.088 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.74 -29.54 19.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -66.06 -44.39 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -70.18 -29.05 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -77.96 -53.75 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -57.67 -56.24 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.943 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -52.11 -39.09 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.858 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -57.24 -38.93 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.57 -33.38 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.934 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -43.39 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.857 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -66.49 -28.89 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.72 -30.89 46.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.753 . . . . 64.24 112.539 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.03 -35.2 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 72.01 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.72 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.908 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -59.4 -26.2 64.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.867 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.61 -18.55 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 60.41 112.47 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.61 -23.97 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 74.11 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.85 -25.16 40.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 74.41 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.24 -43.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 64.43 112.493 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -55.63 -25.97 41.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 73.45 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.76 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.079 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.17 -22.91 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 73.1 111.129 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 52.7 62.45 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.861 -179.867 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.516 -0.233 . . . . 54.12 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.25 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 63.22 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -61.13 -29.47 69.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.908 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -42.67 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.9 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 -36.13 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 64.15 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -71.99 -51.1 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.845 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -58.88 -57.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 t -51.95 -37.93 54.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 64.03 110.827 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -57.05 -37.79 72.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.798 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.26 -33.74 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.951 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -43.56 63.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.865 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.28 -29.83 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.27 -30.65 45.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.723 . . . . 72.13 112.482 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -79.19 -36.87 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 61.22 110.917 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -26.34 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.882 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.65 -26.08 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.837 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.44 -19.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 74.24 112.462 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.25 -26.82 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 74.11 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.11 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.13 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.5 -28.38 1.46 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 71.53 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -23.13 58.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 73.42 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -17.94 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 52.31 111.119 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.57 -1.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.44 111.108 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 55.28 26.15 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 71.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.858 -179.876 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 64.13 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.44 -16.1 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.752 0.31 . . . . 71.13 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.7 -29.62 18.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.902 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.98 -44.3 85.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 72.52 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -70.28 -29.37 66.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -77.54 -53.61 7.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 73.4 110.887 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -57.66 -56.3 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -52.12 -39.0 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 73.24 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -57.28 -38.94 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.6 -33.36 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.898 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -43.47 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.22 110.907 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -66.4 -28.63 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.64 -31.02 37.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 60.53 112.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -79.99 -31.62 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 74.23 110.923 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -26.56 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.944 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.09 -26.6 66.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 75.54 110.875 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.26 -18.56 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.54 112.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -61.52 -18.74 60.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 74.42 110.914 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.11 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 72.14 111.09 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.05 -38.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 64.01 112.483 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -65.13 -25.96 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 74.42 110.819 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.4 -22.25 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.45 111.123 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mp -100.68 0.73 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 65.15 111.119 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.59 69.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 mtp85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.896 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.511 -0.236 . . . . 72.4 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.71 -16.61 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 72.24 111.092 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -51.84 -29.28 18.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.963 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -39.71 95.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.908 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -70.05 -39.51 75.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.878 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -70.29 -51.12 32.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -51.51 -49.43 61.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.923 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.3 p -66.9 -27.92 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.795 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.834 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.08 -46.46 9.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.899 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.18 -22.3 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -53.09 -29.77 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -28.77 17.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 71.12 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -75.35 -27.1 59.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 72.3 110.888 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -26.42 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.941 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.22 -26.24 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 74.31 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.08 -19.64 1.76 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 73.3 112.5 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.79 -24.02 61.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 74.24 110.87 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.81 -25.11 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.42 111.108 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.14 -38.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 74.11 112.543 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -57.11 -28.25 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 74.24 110.886 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.29 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 73.42 111.084 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mm -96.24 25.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.102 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -18.64 65.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.909 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.885 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 75.14 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.46 -12.0 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 71.21 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -52.11 -27.68 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -46.85 81.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 74.14 110.884 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -70.54 -38.38 74.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 65.03 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.62 -53.21 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.956 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -67.05 -30.38 70.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.881 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -60.14 -19.66 54.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 54.25 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -80.79 -48.57 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.53 110.912 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -63.26 -19.15 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.32 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -54.51 -32.9 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.88 -24.91 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 73.42 112.505 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.56 -30.81 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 71.35 110.923 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -26.38 66.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -62.35 -26.39 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 -20.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 72.53 112.508 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.62 -24.85 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 73.2 110.878 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.99 41.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.62 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 65.42 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.96 -31.9 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 74.54 110.869 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.53 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.068 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mt -85.59 -14.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.44 111.154 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 51.15 60.52 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.51 110.898 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.515 -0.234 . . . . 73.23 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.23 -17.12 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 72.35 111.112 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.9 -29.39 19.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -40.11 96.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.897 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -71.24 -52.49 18.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 74.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -51.43 -52.19 48.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 72.01 110.927 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -61.26 -32.49 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -68.88 -15.0 63.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.98 -51.37 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 74.2 110.879 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -51.86 -28.79 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -51.06 -31.12 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.31 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.05 -26.81 33.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 74.55 112.524 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -79.81 -28.8 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 71.4 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -26.39 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 73.53 110.911 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.46 -26.29 68.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.866 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.17 -20.7 1.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 72.44 112.489 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.59 -24.83 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 62.52 110.885 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.05 -24.88 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.45 111.084 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.69 -42.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 70.21 112.46 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -26.04 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 75.15 110.837 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.78 -20.63 63.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.21 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.04 -21.95 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 72.05 111.128 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 51.48 67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 64.45 110.889 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 75.35 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.02 -35.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 72.42 111.113 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.84 -24.91 62.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -42.75 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 75.31 110.883 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -69.79 -37.61 76.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.34 -49.76 52.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -51.74 -51.33 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.875 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.87 -32.22 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 72.14 110.848 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -20.85 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.56 -48.1 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 71.23 110.935 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -69.1 -33.17 73.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.868 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -72.35 -25.9 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.934 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.11 22.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 70.45 112.476 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.89 -31.79 40.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.55 110.897 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -26.04 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.918 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.96 -26.19 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.08 1.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.444 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -63.04 -23.78 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 75.34 110.898 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.2 -27.02 31.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 72.51 111.085 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.25 -35.8 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 74.34 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -56.26 -42.06 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 65.3 110.823 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -17.04 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 54.42 111.132 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.72 -11.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.121 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.82 25.24 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.934 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.841 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.468 -0.253 . . . . 54.25 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.23 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 74.24 111.141 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -51.89 -35.64 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.953 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -57.54 -47.36 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 75.15 110.896 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.72 -36.91 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.49 -54.66 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.92 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -51.77 -58.82 5.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -53.19 -38.0 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.869 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -56.38 -39.29 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 72.3 110.898 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mp -80.4 -37.38 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 75.52 110.922 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -49.49 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.868 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -51.95 -30.05 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.912 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.34 38.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 53.33 112.502 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -79.78 -29.36 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 74.3 110.869 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -26.44 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 62.42 110.938 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.68 -26.17 66.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 62.12 110.871 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.58 1.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.21 112.468 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.64 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 63.43 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -25.02 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.7 -43.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 74.22 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -33.71 64.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 74.12 110.893 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.25 -20.69 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 75.45 111.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.93 -20.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.124 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 60.1 24.67 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.877 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.248 . . . . 64.55 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -16.23 53.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 73.51 111.118 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -51.51 -27.87 11.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -45.29 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 73.35 110.876 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.76 -39.81 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 71.45 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.24 -49.13 78.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.55 -52.48 46.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.929 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p -66.92 -30.22 70.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.868 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -60.78 -18.93 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 73.22 110.898 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -81.58 -50.62 9.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.925 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -59.44 -21.45 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.865 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -51.73 -32.55 30.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.73 -30.78 8.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 74.15 112.488 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -69.3 -36.68 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 75.55 110.882 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -26.4 65.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.927 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -61.41 -26.17 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 72.23 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.28 -19.54 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 65.21 112.519 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.58 -27.02 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.343 . . . . 74.5 110.883 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.22 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 74.42 111.124 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.01 -27.48 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 73.1 112.534 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -76.01 -24.89 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 71.34 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.34 52.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.104 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.5 mp -77.81 -19.33 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 74.01 111.131 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.57 68.0 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 71.1 110.877 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 72.54 110.866 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 72.45 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.26 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 72.34 111.104 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -61.32 -28.67 69.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.87 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -42.49 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 75.31 110.919 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -69.65 -36.14 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.887 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -72.42 -50.66 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.899 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -51.62 -48.26 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.44 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.864 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -68.5 -15.03 63.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.35 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -85.26 -48.72 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 75.05 110.895 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.57 -30.63 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.78 -32.6 65.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.869 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.42 -26.83 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 63.32 112.481 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.73 -30.93 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 73.1 110.901 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -28.49 66.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.937 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.56 -26.54 68.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 61.43 110.822 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.42 -19.69 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 72.24 112.462 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.86 -27.1 50.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 75.15 110.883 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.12 48.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.12 -27.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 72.23 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -75.86 -23.25 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 74.44 110.855 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.47 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 52.41 111.107 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -97.45 1.53 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 73.34 111.095 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.91 64.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.86 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.431 -0.268 . . . . 73.24 112.431 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.58 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 70.35 111.048 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -64.49 -35.86 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -40.05 73.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -69.85 -25.06 63.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -85.69 -53.21 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.01 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -60.6 -55.39 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -53.05 -37.74 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.841 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.66 -37.09 72.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.839 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.15 -33.5 24.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.939 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -43.36 63.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -66.18 -29.95 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.73 -30.27 36.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 54.53 112.491 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.17 -33.46 50.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 74.22 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -26.42 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.948 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -26.31 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 52.44 110.822 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.27 -20.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 70.21 112.505 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.84 -24.57 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 73.43 110.875 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.6 -28.79 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 64.23 111.071 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.22 -33.56 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 74.05 112.46 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -52.69 -37.67 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 74.31 110.857 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.09 56.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 64.31 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mt -85.74 -15.15 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.162 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 46.21 49.7 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 71.35 110.882 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 71.24 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.39 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 72.12 111.106 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -51.61 -30.04 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 63.2 110.872 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -52.06 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 75.12 110.943 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -68.64 -28.96 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.913 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -69.18 -31.97 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 65.44 110.855 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -64.27 -52.85 56.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.889 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.4 p -67.17 -30.61 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 75.21 110.819 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -62.52 -17.45 59.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 75.32 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.41 -41.59 24.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -22.54 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.88 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -70.93 -10.2 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.2 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.37 -19.99 9.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 71.32 112.503 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.52 -41.8 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 75.32 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.07 -26.19 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 63.32 110.905 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -27.27 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.854 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.99 -19.17 1.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 54.44 112.466 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -58.12 -24.46 58.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 71.52 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.08 -24.83 42.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.04 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.54 -41.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 75.21 112.527 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -55.36 -26.37 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 75.53 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.76 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.15 111.156 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mt -73.08 -22.93 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 74.32 111.164 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 52.6 54.71 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.55 110.861 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.846 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 54.23 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 74.3 111.051 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -51.56 -30.4 20.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -52.79 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.45 110.934 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -66.32 -32.03 73.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.854 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.01 -29.4 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.74 -53.76 42.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 75.14 110.911 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.845 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.78 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.869 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.1 -58.52 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -34.17 73.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.886 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -51.25 -34.43 32.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.908 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.82 -31.14 21.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 54.43 112.457 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.64 -28.8 61.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 74.02 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -68.97 -25.88 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.53 110.883 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -59.21 -25.82 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.37 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 72.02 112.422 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -60.41 -20.1 58.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 65.31 110.913 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.91 -24.73 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 74.41 111.118 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.61 -38.08 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 75.54 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.52 -40.11 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 73.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.79 -21.96 57.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 63.04 111.137 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.93 6.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.106 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.88 65.29 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.837 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.872 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.481 -0.248 . . . . 71.22 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.44 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 74.14 111.085 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -60.31 -36.25 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -36.44 79.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 70.21 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -70.6 -26.02 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.53 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -87.96 -50.76 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -60.41 -49.67 76.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.9 p -61.49 -34.93 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.855 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -57.53 -32.94 67.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.83 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.61 -36.61 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -48.54 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.89 -30.83 25.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.23 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 -30.01 30.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 74.51 112.466 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.35 -38.96 49.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.362 . . . . 73.52 110.865 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -26.6 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.902 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.89 -26.27 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.62 -21.15 2.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 61.24 112.479 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.1 -24.27 52.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 71.52 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.01 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.069 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.35 -41.69 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.01 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -57.93 -24.87 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 74.35 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.38 -16.3 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.129 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.4 mt -96.18 -6.79 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 73.23 111.119 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.17 24.98 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.01 110.882 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.842 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.519 -0.232 . . . . 71.12 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.65 -42.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 71.31 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -55.58 -36.35 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.944 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.16 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.869 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -70.54 -31.57 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 62.1 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -80.93 -50.4 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 65.42 110.878 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.9 -53.57 55.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 75.13 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -56.08 -36.55 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 63.31 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.05 -34.54 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.01 110.849 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.73 -36.17 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 74.12 110.92 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.56 -47.57 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.928 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -52.72 -31.44 37.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.948 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.67 -29.93 34.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.508 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -79.63 -26.49 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 75.34 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -26.23 65.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 75.25 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.28 -26.12 68.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.3 -20.37 1.9 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 54.12 112.481 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -56.83 -24.73 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 72.44 110.873 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.0 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.24 111.095 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.39 -45.13 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 72.42 112.53 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -56.1 -41.05 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 71.22 110.887 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.22 -6.3 49.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 64.22 111.094 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mm -94.85 25.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 72.24 111.159 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -26.45 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.918 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 75.52 110.899 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 75.32 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.3 -35.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 52.12 111.141 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.8 -29.81 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.914 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -44.96 89.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -70.06 -34.45 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.938 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -71.87 -49.89 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.04 110.926 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -51.88 -50.57 60.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.897 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -66.96 -35.22 79.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 74.42 110.884 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -57.49 -23.42 49.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.896 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -84.75 -32.37 23.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -24.32 64.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.842 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -72.77 -26.68 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.928 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -30.99 16.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 74.41 112.494 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -79.88 -29.92 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 72.22 110.94 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.48 -26.52 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.875 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.834 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.15 -20.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 63.32 112.485 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.02 -21.91 59.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 74.41 110.922 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.29 -25.23 32.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.079 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.81 -36.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 62.43 112.487 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.76 -29.53 40.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 72.12 110.889 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.24 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.089 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.45 111.131 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.81 68.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.87 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.436 -0.266 . . . . 62.52 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.4 55.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 63.01 111.134 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -51.47 -29.85 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.908 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -62.76 -45.36 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.04 110.907 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.58 -36.43 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.84 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -63.07 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -51.85 -53.57 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 71.21 110.929 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -67.25 -31.02 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 74.31 110.833 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -59.23 -20.6 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.889 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -79.7 -50.27 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 71.2 110.897 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -22.73 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.924 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -51.71 -32.2 29.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.856 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.67 -27.99 11.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 65.14 112.495 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -72.1 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 74.31 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -26.34 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.893 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -26.23 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.892 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.1 -21.36 1.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 71.21 112.46 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.0 -24.42 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 73.25 110.876 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -24.92 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.36 -33.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 45.42 112.496 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.9 -26.63 68.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 71.1 110.918 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.67 -55.04 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.098 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 pt -72.71 -8.07 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.172 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.06 64.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.865 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.44 110.889 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.503 -0.239 . . . . 74.24 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.59 -40.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 75.21 111.11 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -63.64 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -40.94 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.94 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -69.61 -28.77 66.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.23 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -81.1 -52.01 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.874 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -51.72 -46.65 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -33.86 76.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 62.42 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -68.81 -15.2 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.798 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mt -88.39 -50.95 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 72.3 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -52.06 -28.59 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -51.08 -33.21 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 71.14 110.903 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.12 38.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 54.34 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -80.05 -26.27 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.31 110.888 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.58 -16.48 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -57.62 -28.43 63.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 72.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.24 -4.12 4.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.7 -32.16 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 73.45 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.41 -18.51 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.094 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.08 -32.04 2.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 64.32 112.494 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.74 -38.49 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 72.14 110.871 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -14.05 60.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.33 111.115 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 mm -94.87 25.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -18.71 65.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.874 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 54.22 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -51.4 -33.58 30.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -53.44 57.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 74.12 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -67.19 -27.95 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.42 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.96 -32.29 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.498 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.7 m95 -64.55 -53.8 42.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 75.11 110.953 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -67.17 -31.9 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 73.23 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -57.1 -23.43 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 65.21 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.5 mt -76.88 -53.18 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.944 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -23.93 63.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 64.54 110.857 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -51.69 -30.89 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 62.33 110.938 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.76 -30.78 14.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 74.23 112.512 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 55.43 110.885 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.45 -26.55 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 73.22 110.929 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.09 -25.76 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 64.41 110.877 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.9 -20.47 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.44 112.442 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.33 -24.41 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 75.31 110.877 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.29 39.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 52.34 111.128 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.81 -41.08 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 70.41 112.487 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -53.82 -44.65 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 73.14 110.907 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.99 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.127 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.85 -21.73 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 62.44 111.155 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.873 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 64.22 111.08 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -56.41 -24.98 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.926 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -48.11 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.936 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -69.12 -22.31 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.911 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -83.8 -52.39 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.857 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.644 ' HA ' HD12 ' A' ' 10' ' ' LEU . 4.3 m95 -52.63 -47.67 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.7 p -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.865 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.3 t -56.68 -22.28 33.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.865 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.2 mt -84.1 -50.56 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -65.73 -33.0 74.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -72.41 -25.98 61.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.899 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.91 -31.12 21.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 72.11 112.496 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -80.06 -28.83 39.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 64.11 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -24.04 67.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.2 110.926 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -55.73 -25.86 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.887 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.79 -16.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 64.12 112.493 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 5.1 mm-40 -64.88 -24.32 67.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 62.43 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.47 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.13 111.077 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.34 -49.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 45.02 112.536 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -52.92 -46.69 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.02 110.873 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -66.65 -20.9 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 51.03 111.119 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mm -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.44 111.131 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 72.2 111.088 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.74 -29.54 19.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -66.06 -44.39 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -70.18 -29.05 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 10' ' ' LEU . 46.4 t80 -77.96 -53.75 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -57.67 -56.24 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.943 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -52.11 -39.09 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 45.43 110.858 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -57.24 -38.93 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -82.57 -33.38 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.934 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -43.39 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.857 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -66.49 -28.89 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.924 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.72 -30.89 46.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.753 . . . . 64.24 112.539 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.03 -35.2 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 72.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.72 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 42.22 110.908 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -59.4 -26.2 64.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.867 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.61 -18.55 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 60.41 112.47 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.61 -23.97 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 74.11 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.85 -25.16 40.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 60.53 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.528 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -127.24 -43.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.493 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -55.63 -25.97 41.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 73.23 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.76 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 51.42 111.079 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 20' ' ' GLY . 8.2 mt -73.17 -22.91 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 71.24 111.129 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.897 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.75 0.309 . . . . 63.22 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -61.13 -29.47 69.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.908 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -42.67 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 65.53 110.9 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -69.57 -36.13 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 64.15 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.542 ' O ' HD12 ' A' ' 10' ' ' LEU . 33.9 t80 -71.99 -51.1 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.845 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -58.88 -57.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 t -51.95 -37.93 54.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.827 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -57.05 -37.79 72.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.798 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -83.26 -33.74 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.951 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -43.56 63.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.865 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.28 -29.83 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.55 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.27 -30.65 45.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.723 . . . . 42.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -79.19 -36.87 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 61.22 110.917 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -26.34 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.882 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.65 -26.08 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 62.14 110.837 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.44 -19.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 74.24 112.462 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.25 -26.82 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 74.11 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.11 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 64.24 111.13 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.5 -28.38 1.46 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 55.54 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -23.13 58.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 65.12 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -17.94 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 52.31 111.119 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.0 mp -97.57 -1.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.42 111.108 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 52.34 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.752 0.31 . . . . 71.13 111.078 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.7 -29.62 18.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.902 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.98 -44.3 85.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 62.02 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -70.28 -29.37 66.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.563 ' O ' HD12 ' A' ' 10' ' ' LEU . 46.6 t80 -77.54 -53.61 7.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 73.4 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -57.66 -56.3 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -52.12 -39.0 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 70.54 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -57.28 -38.94 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -82.6 -33.36 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 72.13 110.898 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -43.47 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 65.01 110.907 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -66.4 -28.63 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.41 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.64 -31.02 37.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 53.34 112.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -79.99 -31.62 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 74.22 110.923 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -26.56 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.944 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.09 -26.6 66.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 53.45 110.875 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.26 -18.56 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.54 112.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 30.3 mt-10 -61.52 -18.74 60.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 74.42 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.11 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 72.14 111.09 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.05 -38.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 55.52 112.483 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -65.13 -25.96 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 64.33 110.819 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -75.4 -22.25 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.45 111.123 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.6 mp -100.68 0.73 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.875 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.753 0.311 . . . . 64.41 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -51.84 -29.28 18.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 64.04 110.963 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -39.71 95.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.15 110.908 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -70.05 -39.51 75.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.878 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -70.29 -51.12 32.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.668 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.6 m95 -51.51 -49.43 61.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.923 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.3 p -66.9 -27.92 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.795 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.834 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.5 mt -87.08 -46.46 9.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.18 -22.3 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.33 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -53.09 -29.77 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -28.77 17.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 71.12 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -75.35 -27.1 59.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 72.3 110.888 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -26.42 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.941 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.22 -26.24 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.08 -19.64 1.76 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 73.3 112.5 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.79 -24.02 61.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 64.42 110.87 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.81 -25.11 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.42 111.108 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.14 -38.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 74.11 112.543 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -57.11 -28.25 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 74.24 110.886 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.29 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 54.4 111.084 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.6 mm -96.24 25.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.102 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.762 0.315 . . . . 71.21 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -52.11 -27.68 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -46.85 81.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 24.43 110.884 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -70.54 -38.38 74.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.576 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.7 m95 -51.62 -53.21 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.956 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -67.05 -30.38 70.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -60.14 -19.66 54.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 54.25 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -80.79 -48.57 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.53 110.912 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -63.26 -19.15 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 64.22 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -54.51 -32.9 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.88 -24.91 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 73.42 112.505 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.56 -30.81 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 63.24 110.923 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -26.38 66.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -62.35 -26.39 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 -20.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 72.53 112.508 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.62 -24.85 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 73.2 110.878 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.99 41.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.62 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 65.42 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.96 -31.9 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 72.13 110.869 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.53 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.068 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mt -85.59 -14.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 62.12 111.154 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.857 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.775 0.321 . . . . 72.35 111.112 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.9 -29.39 19.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -40.11 96.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 62.55 110.897 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 19.0 t80 -71.24 -52.49 18.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.854 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.733 ' HA ' HD12 ' A' ' 10' ' ' LEU . 7.4 m95 -51.43 -52.19 48.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.927 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -61.26 -32.49 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -68.88 -15.0 63.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 7' ' ' TRP . 12.6 mt -87.98 -51.37 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.879 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -51.86 -28.79 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -51.06 -31.12 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.05 -26.81 33.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.524 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -79.81 -28.8 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 64.54 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -26.39 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 63.2 110.911 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.46 -26.29 68.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.866 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.17 -20.7 1.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 23.13 112.489 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.59 -24.83 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 62.52 110.885 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.05 -24.88 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.4 111.084 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 23' ' ' ILE . . . -127.69 -42.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 63.25 112.46 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -26.04 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 75.15 110.837 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.78 -20.63 63.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.21 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 20' ' ' GLY . 27.8 mt -75.04 -21.95 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 63.11 111.128 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.904 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.775 0.321 . . . . 72.42 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.84 -24.91 62.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -42.75 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 75.31 110.883 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -69.79 -37.61 76.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.34 -49.76 52.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 54.01 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.587 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.6 m95 -51.74 -51.33 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.875 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.87 -32.22 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 72.14 110.848 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -20.85 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 65.11 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 7' ' ' TRP . 1.6 mt -84.56 -48.1 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 53.33 110.935 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -69.1 -33.17 73.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.31 110.868 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -72.35 -25.9 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 60.01 110.934 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.11 22.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 60.05 112.476 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.89 -31.79 40.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.04 110.897 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -26.04 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.918 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.96 -26.19 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.08 1.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.444 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -63.04 -23.78 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 75.34 110.898 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.2 -27.02 31.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 54.32 111.085 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.25 -35.8 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 74.34 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -56.26 -42.06 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 65.3 110.823 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -17.04 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 15.14 111.132 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.72 -11.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.121 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.934 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.856 0.36 . . . . 74.24 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -51.89 -35.64 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.953 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -57.54 -47.36 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 65.33 110.896 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -69.72 -36.91 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.711 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 56.0 t80 -64.49 -54.66 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.92 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -51.77 -58.82 5.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 63.33 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -53.19 -38.0 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.869 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -56.38 -39.29 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 64.1 110.898 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.711 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 mp -80.4 -37.38 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.922 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -49.49 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 61.44 110.868 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -51.95 -30.05 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.912 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.34 38.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 53.3 112.502 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -79.78 -29.36 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 74.3 110.869 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -26.44 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 62.34 110.938 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.68 -26.17 66.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 54.22 110.871 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.58 1.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.21 112.468 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.64 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 63.43 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -25.02 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.7 -43.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 74.22 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -33.71 64.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 72.42 110.893 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.25 -20.69 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 65.52 111.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.93 -20.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.124 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.877 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.766 0.317 . . . . 63.41 111.118 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -51.51 -27.87 11.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -45.29 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 73.35 110.876 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -71.76 -39.81 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 71.45 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.24 -49.13 78.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.61 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.7 m95 -51.55 -52.48 46.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.929 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p -66.92 -30.22 70.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.868 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -60.78 -18.93 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.53 110.898 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -81.58 -50.62 9.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.925 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -59.44 -21.45 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 62.04 110.865 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -51.73 -32.55 30.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.73 -30.78 8.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 74.15 112.488 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -69.3 -36.68 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 75.55 110.882 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -26.4 65.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 62.52 110.927 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -61.41 -26.17 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 62.13 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.28 -19.54 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 41.4 112.519 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.58 -27.02 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.343 . . . . 74.5 110.883 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.22 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 73.41 111.124 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.577 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -122.01 -27.48 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 73.1 112.534 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -76.01 -24.89 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 70.22 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.34 52.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.32 111.104 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 20' ' ' GLY . 2.5 mp -77.81 -19.33 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 71.21 111.131 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.31 . . . . 72.34 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -61.32 -28.67 69.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.87 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -42.49 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 75.31 110.919 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -69.65 -36.14 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.887 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.507 ' CE2' HD11 ' A' ' 10' ' ' LEU . 27.8 t80 -72.42 -50.66 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.899 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.724 ' HA ' HD12 ' A' ' 10' ' ' LEU . 5.8 m95 -51.62 -48.26 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 64.35 110.947 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.44 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.864 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -68.5 -15.03 63.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 53.22 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 7' ' ' TRP . 12.4 mt -85.26 -48.72 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 63.52 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.57 -30.63 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.78 -32.6 65.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 61.22 110.869 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.42 -26.83 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 42.43 112.481 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.73 -30.93 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 70.15 110.901 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -28.49 66.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 64.13 110.937 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.56 -26.54 68.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 61.3 110.822 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.42 -19.69 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 72.24 112.462 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.86 -27.1 50.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 73.1 110.883 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.12 48.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.12 -27.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 72.23 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -75.86 -23.25 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 73.31 110.855 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.47 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 52.41 111.107 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.1 mp -97.45 1.53 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.13 111.095 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.736 0.303 . . . . 63.12 111.048 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -64.49 -35.86 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -40.05 73.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 55.51 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -69.85 -25.06 63.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 10' ' ' LEU . 27.6 t80 -85.69 -53.21 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.853 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -60.6 -55.39 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 72.14 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -53.05 -37.74 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.841 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.66 -37.09 72.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.839 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -84.15 -33.5 24.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.939 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -43.36 63.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -66.18 -29.95 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.73 -30.27 36.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 32.53 112.491 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.17 -33.46 50.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 73.5 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -26.42 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.948 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -26.31 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 52.44 110.822 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.27 -20.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 70.21 112.505 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.84 -24.57 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 73.43 110.875 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.6 -28.79 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 61.43 111.071 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.22 -33.56 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 73.14 112.46 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -52.69 -37.67 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 74.31 110.857 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.09 56.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 63.23 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mt -85.74 -15.15 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.162 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 62.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.787 0.327 . . . . 71.0 111.106 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -51.61 -30.04 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 63.2 110.872 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -52.06 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 71.14 110.943 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -68.64 -28.96 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.14 110.913 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -69.18 -31.97 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.43 110.855 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.613 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.7 m95 -64.27 -52.85 56.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.889 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.4 p -67.17 -30.61 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 61.42 110.819 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -62.52 -17.45 59.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 71.42 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.0 mt -80.41 -41.59 24.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.933 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -22.54 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.88 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -70.93 -10.2 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 62.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.37 -19.99 9.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 53.33 112.503 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.52 -41.8 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 72.51 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.07 -26.19 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.4 110.905 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -27.27 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.854 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.99 -19.17 1.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 54.44 112.466 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -58.12 -24.46 58.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 71.52 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.08 -24.83 42.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.04 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.501 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -127.54 -41.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 71.02 112.527 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -55.36 -26.37 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 74.4 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.76 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 43.55 111.156 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 20' ' ' GLY . 8.6 mt -73.08 -22.93 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 74.32 111.164 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.861 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.723 0.297 . . . . 74.03 111.051 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -51.56 -30.4 20.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 64.43 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -52.79 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 55.1 110.934 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -66.32 -32.03 73.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.854 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.01 -29.4 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.608 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.8 m95 -64.74 -53.76 42.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 70.11 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.845 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.78 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.869 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.5 mt -62.1 -58.52 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.892 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -34.17 73.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.886 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -51.25 -34.43 32.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.23 110.908 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.82 -31.14 21.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 51.11 112.457 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.64 -28.8 61.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 74.02 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -68.97 -25.88 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.883 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -59.21 -25.82 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.37 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 62.35 112.422 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 22.9 mm-40 -60.41 -20.1 58.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 65.31 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.91 -24.73 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 64.14 111.118 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.61 -38.08 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 75.54 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.52 -40.11 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 73.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -58.79 -21.96 57.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 63.04 111.137 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.1 mp -100.93 6.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 52.41 111.106 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.837 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 74.14 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -60.31 -36.25 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -36.44 79.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 64.15 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -70.6 -26.02 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.3 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 10' ' ' LEU . 14.3 t80 -87.96 -50.76 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.35 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -60.41 -49.67 76.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 52.32 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.9 p -61.49 -34.93 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.855 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -57.53 -32.94 67.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.83 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -85.61 -36.61 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 53.24 110.887 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -48.54 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.89 -30.83 25.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 70.31 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 -30.01 30.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 71.43 112.466 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.35 -38.96 49.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.362 . . . . 73.52 110.865 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -26.6 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.902 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.89 -26.27 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.62 -21.15 2.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 61.24 112.479 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.1 -24.27 52.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 60.25 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.01 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 52.42 111.069 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.35 -41.69 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.01 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -57.93 -24.87 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 63.34 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.38 -16.3 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 62.5 111.129 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 23' ' ' ILE . 22.4 mt -96.18 -6.79 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 62.22 111.119 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.882 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.773 0.321 . . . . 53.54 111.063 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -55.58 -36.35 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.944 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.16 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 63.22 110.869 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -70.54 -31.57 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 62.1 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 10' ' ' LEU . 18.4 t80 -80.93 -50.4 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 54.43 110.878 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.9 -53.57 55.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 75.13 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -56.08 -36.55 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 42.4 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.05 -34.54 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.01 110.849 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -85.73 -36.17 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 71.12 110.92 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.56 -47.57 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.928 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -52.72 -31.44 37.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.948 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.67 -29.93 34.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.508 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -79.63 -26.49 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 75.34 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -26.23 65.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.28 -26.12 68.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 44.42 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.3 -20.37 1.9 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 54.12 112.481 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 50.4 mt-10 -56.83 -24.73 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 72.44 110.873 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.0 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.24 111.095 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.39 -45.13 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 72.42 112.53 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -56.1 -41.05 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 71.22 110.887 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -75.22 -6.3 49.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.14 111.094 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.6 mm -94.85 25.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 72.24 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.44 110.918 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.794 0.331 . . . . 52.12 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.8 -29.81 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.914 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -44.96 89.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -70.06 -34.45 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.938 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.457 ' CE2' HD11 ' A' ' 10' ' ' LEU . 49.0 t80 -71.87 -49.89 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.04 110.926 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.652 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.1 m95 -51.88 -50.57 60.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.897 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -66.96 -35.22 79.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.884 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -57.49 -23.42 49.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.896 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 7' ' ' TRP . 1.5 mt -84.75 -32.37 23.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -24.32 64.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.842 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -72.77 -26.68 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.928 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -30.99 16.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 74.41 112.494 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -79.88 -29.92 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 71.13 110.94 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.48 -26.52 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.875 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.834 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.15 -20.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 63.32 112.485 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.02 -21.91 59.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 74.41 110.922 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.29 -25.23 32.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.079 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -132.81 -36.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 62.23 112.487 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.76 -29.53 40.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 72.12 110.889 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.24 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.21 111.089 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 20' ' ' GLY . 7.2 mt -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 51.55 111.131 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.868 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.771 0.319 . . . . 40.21 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -51.47 -29.85 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.908 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -62.76 -45.36 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.907 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.58 -36.43 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.84 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -63.07 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.57 ' HA ' HD12 ' A' ' 10' ' ' LEU . 7.7 m95 -51.85 -53.57 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 65.12 110.929 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -67.25 -31.02 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.833 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -59.23 -20.6 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.889 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -79.7 -50.27 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 71.2 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -22.73 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.924 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -51.71 -32.2 29.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.856 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.67 -27.99 11.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 65.14 112.495 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -72.1 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 74.31 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -26.34 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 65.54 110.893 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -26.23 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.892 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.1 -21.36 1.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 71.21 112.46 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.0 -24.42 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 71.32 110.876 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -24.92 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.36 -33.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 45.42 112.496 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.9 -26.63 68.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 62.14 110.918 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.67 -55.04 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.098 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 pt -72.71 -8.07 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.32 111.172 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 65.52 110.865 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.76 0.314 . . . . 34.54 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -63.64 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -40.94 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.94 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.61 -28.77 66.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 62.33 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.748 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 25.0 t80 -81.1 -52.01 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.783 ' HA ' HD12 ' A' ' 10' ' ' LEU . 4.3 m95 -51.72 -46.65 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 71.23 110.876 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -33.86 76.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 62.42 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -68.81 -15.2 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.798 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 7' ' ' TRP . 9.9 mt -88.39 -50.95 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 55.34 110.892 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -52.06 -28.59 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -51.08 -33.21 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.903 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.12 38.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 44.21 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . 79.6 m-85 -80.05 -26.27 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.31 110.888 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.58 -16.48 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -57.62 -28.43 63.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 50.33 110.858 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.24 -4.12 4.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 71.12 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.7 -32.16 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 73.45 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . . . -60.41 -18.51 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.03 111.094 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.08 -32.04 2.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 64.32 112.494 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.74 -38.49 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 62.52 110.871 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -14.05 60.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 33.41 111.115 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.2 mm -94.87 25.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.126 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 70.3 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.541 -0.224 . . . . 52.15 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.34 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 54.22 111.122 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -51.4 -33.58 30.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -53.44 57.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 74.12 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -67.19 -27.95 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.42 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.96 -32.29 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.498 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.7 m95 -64.55 -53.8 42.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 75.11 110.953 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -67.17 -31.9 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 73.23 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -57.1 -23.43 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 65.21 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.5 mt -76.88 -53.18 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.944 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -23.93 63.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 64.54 110.857 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -51.69 -30.89 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 62.33 110.938 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.76 -30.78 14.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 74.23 112.512 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 55.43 110.885 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.45 -26.55 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 73.22 110.929 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.09 -25.76 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 64.41 110.877 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.9 -20.47 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.44 112.442 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.33 -24.41 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 75.31 110.877 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.29 39.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 52.34 111.128 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.81 -41.08 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 70.41 112.487 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -53.82 -44.65 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 73.14 110.907 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.99 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.127 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.85 -21.73 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 62.44 111.155 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.89 25.67 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.873 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.875 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.252 . . . . 70.34 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.52 -35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 64.22 111.08 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -56.41 -24.98 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.926 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -48.11 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.936 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -69.12 -22.31 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.911 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -83.8 -52.39 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.857 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.644 ' HA ' HD12 ' A' ' 10' ' ' LEU . 4.3 m95 -52.63 -47.67 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.7 p -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.865 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.3 t -56.68 -22.28 33.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.865 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.2 mt -84.1 -50.56 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -65.73 -33.0 74.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -72.41 -25.98 61.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.899 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.91 -31.12 21.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 72.11 112.496 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -80.06 -28.83 39.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 64.11 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -24.04 67.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.2 110.926 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -55.73 -25.86 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.887 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.79 -16.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 64.12 112.493 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 5.1 mm-40 -64.88 -24.32 67.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 62.43 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.47 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.13 111.077 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.34 -49.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 45.02 112.536 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -52.92 -46.69 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.02 110.873 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -66.65 -20.9 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 51.03 111.119 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mm -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.44 111.131 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.91 25.62 6.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.861 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 52.42 110.857 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 71.24 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.56 -16.02 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 72.2 111.088 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.74 -29.54 19.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -66.06 -44.39 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -70.18 -29.05 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 10' ' ' LEU . 46.4 t80 -77.96 -53.75 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -57.67 -56.24 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.943 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -52.11 -39.09 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 45.43 110.858 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -57.24 -38.93 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -82.57 -33.38 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.934 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -43.39 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.857 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -66.49 -28.89 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.924 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.72 -30.89 46.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.753 . . . . 64.24 112.539 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.03 -35.2 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 72.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.72 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 42.22 110.908 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -59.4 -26.2 64.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.867 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.61 -18.55 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 60.41 112.47 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.61 -23.97 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 74.11 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.85 -25.16 40.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 60.53 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.528 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -127.24 -43.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.493 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -55.63 -25.97 41.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 73.23 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.76 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 51.42 111.079 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 20' ' ' GLY . 8.2 mt -73.17 -22.91 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 71.24 111.129 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 52.7 62.45 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.861 -179.867 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.516 -0.233 . . . . 44.2 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.25 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 63.22 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -61.13 -29.47 69.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.908 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -42.67 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 65.53 110.9 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -69.57 -36.13 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 64.15 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.542 ' O ' HD12 ' A' ' 10' ' ' LEU . 33.9 t80 -71.99 -51.1 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.845 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -58.88 -57.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 t -51.95 -37.93 54.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.827 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -57.05 -37.79 72.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.798 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -83.26 -33.74 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.951 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -43.56 63.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.865 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.28 -29.83 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.55 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.27 -30.65 45.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.723 . . . . 42.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -79.19 -36.87 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 61.22 110.917 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -26.34 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.882 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.65 -26.08 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 62.14 110.837 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.44 -19.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 74.24 112.462 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.25 -26.82 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 74.11 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.11 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 64.24 111.13 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.5 -28.38 1.46 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 55.54 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -23.13 58.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 65.12 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -17.94 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 52.31 111.119 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.0 mp -97.57 -1.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.42 111.108 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 55.28 26.15 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 52.34 110.891 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.858 -179.876 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 31.21 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.44 -16.1 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.752 0.31 . . . . 71.13 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.7 -29.62 18.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.902 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.98 -44.3 85.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 62.02 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -70.28 -29.37 66.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.563 ' O ' HD12 ' A' ' 10' ' ' LEU . 46.6 t80 -77.54 -53.61 7.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 73.4 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -57.66 -56.3 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -52.12 -39.0 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 70.54 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -57.28 -38.94 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -82.6 -33.36 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 72.13 110.898 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -43.47 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 65.01 110.907 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -66.4 -28.63 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.41 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.64 -31.02 37.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 53.34 112.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -79.99 -31.62 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 74.22 110.923 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -26.56 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.944 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.09 -26.6 66.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 53.45 110.875 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.26 -18.56 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.54 112.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 30.3 mt-10 -61.52 -18.74 60.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 74.42 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.11 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 72.14 111.09 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.05 -38.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 55.52 112.483 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -65.13 -25.96 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 64.33 110.819 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -75.4 -22.25 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.45 111.123 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.6 mp -100.68 0.73 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.59 69.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 mtp85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 72.52 110.896 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.511 -0.236 . . . . 72.4 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.71 -16.61 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 64.41 111.092 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -51.84 -29.28 18.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 64.04 110.963 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -39.71 95.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.15 110.908 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -70.05 -39.51 75.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.878 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -70.29 -51.12 32.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.668 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.6 m95 -51.51 -49.43 61.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.923 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.3 p -66.9 -27.92 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.795 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.834 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.5 mt -87.08 -46.46 9.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.18 -22.3 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.33 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -53.09 -29.77 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -28.77 17.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 71.12 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -75.35 -27.1 59.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 72.3 110.888 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -26.42 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.941 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.22 -26.24 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.08 -19.64 1.76 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 73.3 112.5 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.79 -24.02 61.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 64.42 110.87 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.81 -25.11 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.42 111.108 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.14 -38.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 74.11 112.543 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -57.11 -28.25 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 74.24 110.886 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.29 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 54.4 111.084 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.6 mm -96.24 25.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.102 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -18.64 65.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.909 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.885 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 75.14 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.46 -12.0 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 71.21 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -52.11 -27.68 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -46.85 81.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 24.43 110.884 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -70.54 -38.38 74.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.576 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.7 m95 -51.62 -53.21 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.956 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -67.05 -30.38 70.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -60.14 -19.66 54.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 54.25 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -80.79 -48.57 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.53 110.912 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -63.26 -19.15 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 64.22 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -54.51 -32.9 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.88 -24.91 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 73.42 112.505 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.56 -30.81 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 63.24 110.923 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -26.38 66.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -62.35 -26.39 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 -20.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 72.53 112.508 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.62 -24.85 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 73.2 110.878 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.99 41.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.62 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 65.42 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.96 -31.9 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 72.13 110.869 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.53 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.068 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mt -85.59 -14.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 62.12 111.154 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 51.15 60.52 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.51 110.898 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.515 -0.234 . . . . 73.23 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.23 -17.12 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 72.35 111.112 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.9 -29.39 19.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -40.11 96.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 62.55 110.897 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 19.0 t80 -71.24 -52.49 18.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.854 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.733 ' HA ' HD12 ' A' ' 10' ' ' LEU . 7.4 m95 -51.43 -52.19 48.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.927 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -61.26 -32.49 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -68.88 -15.0 63.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 7' ' ' TRP . 12.6 mt -87.98 -51.37 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.879 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -51.86 -28.79 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -51.06 -31.12 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.05 -26.81 33.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.524 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -79.81 -28.8 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 64.54 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -26.39 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 63.2 110.911 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.46 -26.29 68.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.866 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.17 -20.7 1.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 23.13 112.489 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.59 -24.83 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 62.52 110.885 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.05 -24.88 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.4 111.084 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 23' ' ' ILE . . . -127.69 -42.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 63.25 112.46 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -26.04 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 75.15 110.837 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.78 -20.63 63.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.21 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 20' ' ' GLY . 27.8 mt -75.04 -21.95 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 63.11 111.128 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 51.48 67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.889 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 75.35 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.02 -35.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 72.42 111.113 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.84 -24.91 62.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -42.75 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 75.31 110.883 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -69.79 -37.61 76.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.34 -49.76 52.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 54.01 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.587 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.6 m95 -51.74 -51.33 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.875 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.87 -32.22 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 72.14 110.848 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -20.85 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 65.11 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 7' ' ' TRP . 1.6 mt -84.56 -48.1 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 53.33 110.935 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -69.1 -33.17 73.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.31 110.868 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -72.35 -25.9 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 60.01 110.934 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.11 22.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 60.05 112.476 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.89 -31.79 40.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.04 110.897 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -26.04 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.918 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.96 -26.19 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.08 1.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.444 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -63.04 -23.78 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 75.34 110.898 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.2 -27.02 31.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 54.32 111.085 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.25 -35.8 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 74.34 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -56.26 -42.06 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 65.3 110.823 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -17.04 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 15.14 111.132 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.72 -11.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.121 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.82 25.24 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.934 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.841 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.468 -0.253 . . . . 54.14 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.23 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 74.24 111.141 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -51.89 -35.64 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.953 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -57.54 -47.36 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 65.33 110.896 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -69.72 -36.91 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.711 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 56.0 t80 -64.49 -54.66 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.92 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -51.77 -58.82 5.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 63.33 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -53.19 -38.0 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.869 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -56.38 -39.29 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 64.1 110.898 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.711 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 mp -80.4 -37.38 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.922 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -49.49 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 61.44 110.868 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -51.95 -30.05 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.912 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.34 38.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 53.3 112.502 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -79.78 -29.36 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 74.3 110.869 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -26.44 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 62.34 110.938 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.68 -26.17 66.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 54.22 110.871 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.58 1.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.21 112.468 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.64 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 63.43 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -25.02 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.7 -43.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 74.22 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -33.71 64.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 72.42 110.893 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.25 -20.69 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 65.52 111.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.93 -20.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.124 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 60.1 24.67 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.877 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.248 . . . . 61.52 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -16.23 53.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 63.41 111.118 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -51.51 -27.87 11.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -45.29 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 73.35 110.876 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -71.76 -39.81 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 71.45 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.24 -49.13 78.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.61 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.7 m95 -51.55 -52.48 46.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.929 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p -66.92 -30.22 70.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.868 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -60.78 -18.93 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.53 110.898 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -81.58 -50.62 9.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.925 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -59.44 -21.45 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 62.04 110.865 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -51.73 -32.55 30.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.73 -30.78 8.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 74.15 112.488 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -69.3 -36.68 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 75.55 110.882 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -26.4 65.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 62.52 110.927 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -61.41 -26.17 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 62.13 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.28 -19.54 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 41.4 112.519 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.58 -27.02 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.343 . . . . 74.5 110.883 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.22 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 73.41 111.124 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.577 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -122.01 -27.48 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 73.1 112.534 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -76.01 -24.89 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 70.22 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.34 52.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.32 111.104 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 20' ' ' GLY . 2.5 mp -77.81 -19.33 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 71.21 111.131 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.57 68.0 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.877 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.866 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 72.45 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.26 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 72.34 111.104 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -61.32 -28.67 69.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.87 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -42.49 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 75.31 110.919 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -69.65 -36.14 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.887 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.507 ' CE2' HD11 ' A' ' 10' ' ' LEU . 27.8 t80 -72.42 -50.66 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.899 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.724 ' HA ' HD12 ' A' ' 10' ' ' LEU . 5.8 m95 -51.62 -48.26 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 64.35 110.947 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.44 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.864 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -68.5 -15.03 63.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 53.22 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 7' ' ' TRP . 12.4 mt -85.26 -48.72 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 63.52 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.57 -30.63 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.78 -32.6 65.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 61.22 110.869 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.42 -26.83 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 42.43 112.481 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.73 -30.93 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 70.15 110.901 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -28.49 66.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 64.13 110.937 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.56 -26.54 68.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 61.3 110.822 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.42 -19.69 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 72.24 112.462 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.86 -27.1 50.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 73.1 110.883 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.12 48.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.12 -27.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 72.23 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -75.86 -23.25 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 73.31 110.855 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.47 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 52.41 111.107 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.1 mp -97.45 1.53 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.13 111.095 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.91 64.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.01 110.86 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.431 -0.268 . . . . 73.24 112.431 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.58 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 63.12 111.048 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -64.49 -35.86 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -40.05 73.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 55.51 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -69.85 -25.06 63.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 10' ' ' LEU . 27.6 t80 -85.69 -53.21 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.853 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -60.6 -55.39 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 72.14 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -53.05 -37.74 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.841 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.66 -37.09 72.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.839 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -84.15 -33.5 24.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.939 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -43.36 63.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -66.18 -29.95 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.73 -30.27 36.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 32.53 112.491 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.17 -33.46 50.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 73.5 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -26.42 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.948 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -26.31 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 52.44 110.822 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.27 -20.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 70.21 112.505 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.84 -24.57 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 73.43 110.875 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.6 -28.79 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 61.43 111.071 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.22 -33.56 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 73.14 112.46 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -52.69 -37.67 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 74.31 110.857 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.09 56.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 63.23 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mt -85.74 -15.15 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.162 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 46.21 49.7 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 62.42 110.882 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 64.53 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.39 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 71.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -51.61 -30.04 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 63.2 110.872 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -52.06 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 71.14 110.943 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -68.64 -28.96 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.14 110.913 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -69.18 -31.97 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.43 110.855 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.613 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.7 m95 -64.27 -52.85 56.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.889 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.4 p -67.17 -30.61 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 61.42 110.819 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -62.52 -17.45 59.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 71.42 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.0 mt -80.41 -41.59 24.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.933 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -22.54 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.88 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -70.93 -10.2 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 62.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.37 -19.99 9.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 53.33 112.503 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.52 -41.8 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 72.51 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.07 -26.19 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.4 110.905 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -27.27 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.854 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.99 -19.17 1.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 54.44 112.466 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -58.12 -24.46 58.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 71.52 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.08 -24.83 42.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.04 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.501 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -127.54 -41.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 71.02 112.527 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -55.36 -26.37 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 74.4 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.76 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 43.55 111.156 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 20' ' ' GLY . 8.6 mt -73.08 -22.93 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 74.32 111.164 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 52.6 54.71 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.861 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.846 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 34.33 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 74.03 111.051 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -51.56 -30.4 20.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 64.43 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -52.79 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 55.1 110.934 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -66.32 -32.03 73.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.854 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.01 -29.4 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.608 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.8 m95 -64.74 -53.76 42.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 70.11 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.845 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.78 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.869 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.5 mt -62.1 -58.52 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.892 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -34.17 73.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.886 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -51.25 -34.43 32.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.23 110.908 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.82 -31.14 21.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 51.11 112.457 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.64 -28.8 61.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 74.02 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -68.97 -25.88 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.883 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -59.21 -25.82 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.37 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 62.35 112.422 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 22.9 mm-40 -60.41 -20.1 58.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 65.31 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.91 -24.73 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 64.14 111.118 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.61 -38.08 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 75.54 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.52 -40.11 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 73.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -58.79 -21.96 57.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 63.04 111.137 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.1 mp -100.93 6.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 52.41 111.106 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.88 65.29 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.837 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.872 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.481 -0.248 . . . . 52.31 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.44 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 74.14 111.085 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -60.31 -36.25 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -36.44 79.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 64.15 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -70.6 -26.02 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.3 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 10' ' ' LEU . 14.3 t80 -87.96 -50.76 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.35 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -60.41 -49.67 76.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 52.32 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.9 p -61.49 -34.93 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.855 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -57.53 -32.94 67.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.83 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -85.61 -36.61 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 53.24 110.887 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -48.54 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.89 -30.83 25.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 70.31 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 -30.01 30.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 71.43 112.466 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.35 -38.96 49.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.362 . . . . 73.52 110.865 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -26.6 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.902 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.89 -26.27 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.62 -21.15 2.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 61.24 112.479 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.1 -24.27 52.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 60.25 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.01 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 52.42 111.069 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.35 -41.69 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.01 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -57.93 -24.87 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 63.34 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.38 -16.3 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 62.5 111.129 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 23' ' ' ILE . 22.4 mt -96.18 -6.79 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 62.22 111.119 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.17 24.98 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.882 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.842 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.519 -0.232 . . . . 63.25 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.65 -42.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 53.54 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -55.58 -36.35 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.944 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.16 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 63.22 110.869 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -70.54 -31.57 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 62.1 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 10' ' ' LEU . 18.4 t80 -80.93 -50.4 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 54.43 110.878 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.9 -53.57 55.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 75.13 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -56.08 -36.55 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 42.4 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.05 -34.54 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.01 110.849 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -85.73 -36.17 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 71.12 110.92 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.56 -47.57 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.928 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -52.72 -31.44 37.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.948 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.67 -29.93 34.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.508 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -79.63 -26.49 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 75.34 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -26.23 65.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.28 -26.12 68.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 44.42 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.3 -20.37 1.9 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 54.12 112.481 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 50.4 mt-10 -56.83 -24.73 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 72.44 110.873 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.0 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.24 111.095 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.39 -45.13 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 72.42 112.53 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -56.1 -41.05 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 71.22 110.887 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -75.22 -6.3 49.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.14 111.094 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.6 mm -94.85 25.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 72.24 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -26.45 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.44 110.918 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 65.34 110.899 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 75.32 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.3 -35.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 52.12 111.141 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.8 -29.81 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.914 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -44.96 89.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -70.06 -34.45 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.938 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.457 ' CE2' HD11 ' A' ' 10' ' ' LEU . 49.0 t80 -71.87 -49.89 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.04 110.926 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.652 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.1 m95 -51.88 -50.57 60.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.897 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -66.96 -35.22 79.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.884 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -57.49 -23.42 49.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.896 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 7' ' ' TRP . 1.5 mt -84.75 -32.37 23.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -24.32 64.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.842 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -72.77 -26.68 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.928 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -30.99 16.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 74.41 112.494 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -79.88 -29.92 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 71.13 110.94 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.48 -26.52 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.875 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.834 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.15 -20.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 63.32 112.485 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.02 -21.91 59.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 74.41 110.922 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.29 -25.23 32.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.079 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -132.81 -36.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 62.23 112.487 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.76 -29.53 40.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 72.12 110.889 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.24 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.21 111.089 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 20' ' ' GLY . 7.2 mt -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 51.55 111.131 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.81 68.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.87 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.436 -0.266 . . . . 62.52 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.4 55.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 40.21 111.134 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -51.47 -29.85 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.908 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -62.76 -45.36 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.907 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.58 -36.43 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.84 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -63.07 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.57 ' HA ' HD12 ' A' ' 10' ' ' LEU . 7.7 m95 -51.85 -53.57 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 65.12 110.929 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -67.25 -31.02 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.833 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -59.23 -20.6 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.889 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -79.7 -50.27 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 71.2 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -22.73 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.924 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -51.71 -32.2 29.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.856 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.67 -27.99 11.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 65.14 112.495 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -72.1 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 74.31 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -26.34 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 65.54 110.893 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -26.23 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.892 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.1 -21.36 1.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 71.21 112.46 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.0 -24.42 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 71.32 110.876 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -24.92 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.36 -33.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 45.42 112.496 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.9 -26.63 68.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 62.14 110.918 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.67 -55.04 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.098 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 pt -72.71 -8.07 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.32 111.172 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.06 64.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 65.52 110.865 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.44 110.889 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.503 -0.239 . . . . 74.24 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.59 -40.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 34.54 111.11 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -63.64 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -40.94 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.94 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.61 -28.77 66.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 62.33 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.748 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 25.0 t80 -81.1 -52.01 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.783 ' HA ' HD12 ' A' ' 10' ' ' LEU . 4.3 m95 -51.72 -46.65 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 71.23 110.876 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -33.86 76.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 62.42 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -68.81 -15.2 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.798 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 7' ' ' TRP . 9.9 mt -88.39 -50.95 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 55.34 110.892 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -52.06 -28.59 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -51.08 -33.21 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.903 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.12 38.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 44.21 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . 79.6 m-85 -80.05 -26.27 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.31 110.888 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.58 -16.48 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -57.62 -28.43 63.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 50.33 110.858 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.24 -4.12 4.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 71.12 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.7 -32.16 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 73.45 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . . . -60.41 -18.51 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.03 111.094 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.08 -32.04 2.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 64.32 112.494 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.74 -38.49 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 62.52 110.871 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -14.05 60.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 33.41 111.115 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.2 mm -94.87 25.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.126 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -18.71 65.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 70.3 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.874 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 54.22 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -51.4 -33.58 30.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -53.44 57.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 74.12 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -67.19 -27.95 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.42 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.96 -32.29 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.498 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.7 m95 -64.55 -53.8 42.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 75.11 110.953 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -67.17 -31.9 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 73.23 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -57.1 -23.43 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 65.21 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.5 mt -76.88 -53.18 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.944 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -23.93 63.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 64.54 110.857 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -51.69 -30.89 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 62.33 110.938 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.76 -30.78 14.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 74.23 112.512 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 55.43 110.885 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.45 -26.55 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 73.22 110.929 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.09 -25.76 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 64.41 110.877 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.9 -20.47 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.44 112.442 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.33 -24.41 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 75.31 110.877 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.29 39.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 52.34 111.128 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.81 -41.08 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 70.41 112.487 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -53.82 -44.65 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 73.14 110.907 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.99 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.127 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.85 -21.73 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 62.44 111.155 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.873 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 64.22 111.08 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -56.41 -24.98 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.926 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -48.11 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.936 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -69.12 -22.31 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.911 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -83.8 -52.39 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.857 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.644 ' HA ' HD12 ' A' ' 10' ' ' LEU . 4.3 m95 -52.63 -47.67 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.7 p -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.865 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.3 t -56.68 -22.28 33.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.865 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.2 mt -84.1 -50.56 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -65.73 -33.0 74.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -72.41 -25.98 61.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.899 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.91 -31.12 21.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 72.11 112.496 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -80.06 -28.83 39.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 64.11 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -24.04 67.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.2 110.926 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -55.73 -25.86 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.887 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.79 -16.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 64.12 112.493 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 5.1 mm-40 -64.88 -24.32 67.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 62.43 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.47 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.13 111.077 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.34 -49.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 45.02 112.536 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -52.92 -46.69 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.02 110.873 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -66.65 -20.9 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 51.03 111.119 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mm -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.44 111.131 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.787 0.327 . . . . 72.2 111.088 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.74 -29.54 19.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -66.06 -44.39 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -70.18 -29.05 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 10' ' ' LEU . 46.4 t80 -77.96 -53.75 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -57.67 -56.24 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.943 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -52.11 -39.09 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 45.43 110.858 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -57.24 -38.93 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -82.57 -33.38 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.934 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -43.39 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.857 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -66.49 -28.89 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.924 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.72 -30.89 46.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.753 . . . . 64.24 112.539 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.03 -35.2 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 72.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.72 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 42.22 110.908 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -59.4 -26.2 64.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.867 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.61 -18.55 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 60.41 112.47 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.61 -23.97 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 74.11 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.85 -25.16 40.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 60.53 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.528 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -127.24 -43.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.493 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -55.63 -25.97 41.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 73.23 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.76 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 51.42 111.079 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 20' ' ' GLY . 8.2 mt -73.17 -22.91 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 71.24 111.129 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.897 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.75 0.309 . . . . 63.22 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -61.13 -29.47 69.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.908 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -42.67 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 65.53 110.9 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 -36.13 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 64.15 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.542 ' O ' HD12 ' A' ' 10' ' ' LEU . 33.9 t80 -71.99 -51.1 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.845 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -58.88 -57.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 t -51.95 -37.93 54.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.827 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -57.05 -37.79 72.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.798 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -83.26 -33.74 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.951 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -43.56 63.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.865 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.28 -29.83 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.55 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.27 -30.65 45.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.723 . . . . 42.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -79.19 -36.87 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 61.22 110.917 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -26.34 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.882 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.65 -26.08 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 62.14 110.837 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.44 -19.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 74.24 112.462 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.25 -26.82 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 74.11 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.11 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 64.24 111.13 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.5 -28.38 1.46 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 55.54 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -23.13 58.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 65.12 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -17.94 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 52.31 111.119 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.0 mp -97.57 -1.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.42 111.108 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 52.34 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.752 0.31 . . . . 71.13 111.078 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.7 -29.62 18.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.902 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.98 -44.3 85.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 62.02 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -70.28 -29.37 66.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.563 ' O ' HD12 ' A' ' 10' ' ' LEU . 46.6 t80 -77.54 -53.61 7.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 73.4 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -57.66 -56.3 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -52.12 -39.0 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 70.54 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -57.28 -38.94 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -82.6 -33.36 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 72.13 110.898 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -43.47 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 65.01 110.907 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -66.4 -28.63 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.41 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.64 -31.02 37.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 53.34 112.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -79.99 -31.62 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 74.22 110.923 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -26.56 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.944 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.09 -26.6 66.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 53.45 110.875 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.26 -18.56 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.54 112.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 30.3 mt-10 -61.52 -18.74 60.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 74.42 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.11 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 72.14 111.09 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.05 -38.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 55.52 112.483 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -65.13 -25.96 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 64.33 110.819 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -75.4 -22.25 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.45 111.123 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.6 mp -100.68 0.73 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.875 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.753 0.311 . . . . 64.41 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -51.84 -29.28 18.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 64.04 110.963 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -39.71 95.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.15 110.908 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -70.05 -39.51 75.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.878 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -70.29 -51.12 32.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.668 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.6 m95 -51.51 -49.43 61.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.923 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.3 p -66.9 -27.92 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.795 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.834 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.5 mt -87.08 -46.46 9.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.18 -22.3 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.33 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -53.09 -29.77 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -28.77 17.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 71.12 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -75.35 -27.1 59.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 72.3 110.888 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -26.42 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.941 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.22 -26.24 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.08 -19.64 1.76 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 73.3 112.5 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.79 -24.02 61.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 64.42 110.87 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.81 -25.11 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.42 111.108 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.14 -38.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 74.11 112.543 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -57.11 -28.25 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 74.24 110.886 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.29 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 54.4 111.084 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.6 mm -96.24 25.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.102 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.762 0.315 . . . . 71.21 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -52.11 -27.68 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -46.85 81.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 24.43 110.884 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -70.54 -38.38 74.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.576 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.7 m95 -51.62 -53.21 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.956 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -67.05 -30.38 70.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -60.14 -19.66 54.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 54.25 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -80.79 -48.57 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.53 110.912 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -63.26 -19.15 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 64.22 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -54.51 -32.9 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.88 -24.91 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 73.42 112.505 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.56 -30.81 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 63.24 110.923 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -26.38 66.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -62.35 -26.39 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 -20.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 72.53 112.508 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.62 -24.85 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 73.2 110.878 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.99 41.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.62 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 65.42 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.96 -31.9 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 72.13 110.869 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.53 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.068 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mt -85.59 -14.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 62.12 111.154 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.857 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.775 0.321 . . . . 72.35 111.112 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.9 -29.39 19.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -40.11 96.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 62.55 110.897 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 19.0 t80 -71.24 -52.49 18.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.854 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.733 ' HA ' HD12 ' A' ' 10' ' ' LEU . 7.4 m95 -51.43 -52.19 48.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.927 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -61.26 -32.49 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -68.88 -15.0 63.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 7' ' ' TRP . 12.6 mt -87.98 -51.37 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.879 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -51.86 -28.79 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -51.06 -31.12 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.05 -26.81 33.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.524 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -79.81 -28.8 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 64.54 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -26.39 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 63.2 110.911 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.46 -26.29 68.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.866 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.17 -20.7 1.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 23.13 112.489 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.59 -24.83 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 62.52 110.885 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.05 -24.88 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.4 111.084 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 23' ' ' ILE . . . -127.69 -42.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 63.25 112.46 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -26.04 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 75.15 110.837 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.78 -20.63 63.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.21 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 20' ' ' GLY . 27.8 mt -75.04 -21.95 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 63.11 111.128 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.904 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.775 0.321 . . . . 72.42 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.84 -24.91 62.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -42.75 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 75.31 110.883 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -69.79 -37.61 76.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.34 -49.76 52.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 54.01 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.587 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.6 m95 -51.74 -51.33 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.875 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.87 -32.22 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 72.14 110.848 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -20.85 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 65.11 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 7' ' ' TRP . 1.6 mt -84.56 -48.1 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 53.33 110.935 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -69.1 -33.17 73.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.31 110.868 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -72.35 -25.9 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 60.01 110.934 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.11 22.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 60.05 112.476 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.89 -31.79 40.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.04 110.897 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -26.04 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.918 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.96 -26.19 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.08 1.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.444 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -63.04 -23.78 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 75.34 110.898 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.2 -27.02 31.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 54.32 111.085 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.25 -35.8 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 74.34 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -56.26 -42.06 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 65.3 110.823 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -17.04 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 15.14 111.132 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.72 -11.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.121 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.934 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.856 0.36 . . . . 74.24 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -51.89 -35.64 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.953 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -57.54 -47.36 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 65.33 110.896 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.72 -36.91 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.711 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 56.0 t80 -64.49 -54.66 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.92 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -51.77 -58.82 5.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 63.33 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -53.19 -38.0 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.869 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -56.38 -39.29 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 64.1 110.898 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.711 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 mp -80.4 -37.38 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.922 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -49.49 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 61.44 110.868 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -51.95 -30.05 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.912 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.34 38.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 53.3 112.502 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -79.78 -29.36 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 74.3 110.869 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -26.44 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 62.34 110.938 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.68 -26.17 66.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 54.22 110.871 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.58 1.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.21 112.468 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.64 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 63.43 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -25.02 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.7 -43.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 74.22 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -33.71 64.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 72.42 110.893 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.25 -20.69 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 65.52 111.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.93 -20.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.124 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.877 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.766 0.317 . . . . 63.41 111.118 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -51.51 -27.87 11.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -45.29 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 73.35 110.876 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.76 -39.81 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 71.45 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.24 -49.13 78.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.61 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.7 m95 -51.55 -52.48 46.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.929 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p -66.92 -30.22 70.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.868 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -60.78 -18.93 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.53 110.898 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -81.58 -50.62 9.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.925 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -59.44 -21.45 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 62.04 110.865 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -51.73 -32.55 30.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.73 -30.78 8.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 74.15 112.488 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -69.3 -36.68 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 75.55 110.882 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -26.4 65.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 62.52 110.927 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -61.41 -26.17 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 62.13 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.28 -19.54 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 41.4 112.519 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.58 -27.02 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.343 . . . . 74.5 110.883 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.22 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 73.41 111.124 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.577 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -122.01 -27.48 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 73.1 112.534 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -76.01 -24.89 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 70.22 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.34 52.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.32 111.104 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 20' ' ' GLY . 2.5 mp -77.81 -19.33 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 71.21 111.131 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.877 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.75 0.31 . . . . 72.34 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -61.32 -28.67 69.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.87 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -42.49 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 75.31 110.919 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -69.65 -36.14 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.887 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.507 ' CE2' HD11 ' A' ' 10' ' ' LEU . 27.8 t80 -72.42 -50.66 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.899 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.724 ' HA ' HD12 ' A' ' 10' ' ' LEU . 5.8 m95 -51.62 -48.26 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 64.35 110.947 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.44 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.864 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -68.5 -15.03 63.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 53.22 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 7' ' ' TRP . 12.4 mt -85.26 -48.72 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 63.52 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.57 -30.63 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.78 -32.6 65.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 61.22 110.869 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.42 -26.83 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 42.43 112.481 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.73 -30.93 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 70.15 110.901 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -28.49 66.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 64.13 110.937 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.56 -26.54 68.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 61.3 110.822 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.42 -19.69 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 72.24 112.462 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.86 -27.1 50.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 73.1 110.883 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.12 48.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.12 -27.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 72.23 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -75.86 -23.25 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 73.31 110.855 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.47 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 52.41 111.107 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.1 mp -97.45 1.53 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.13 111.095 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.736 0.303 . . . . 63.12 111.048 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -64.49 -35.86 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -40.05 73.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 55.51 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -69.85 -25.06 63.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 10' ' ' LEU . 27.6 t80 -85.69 -53.21 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.853 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -60.6 -55.39 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 72.14 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -53.05 -37.74 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.841 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.66 -37.09 72.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.839 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -84.15 -33.5 24.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.939 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -43.36 63.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -66.18 -29.95 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.73 -30.27 36.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 32.53 112.491 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.17 -33.46 50.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 73.5 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -26.42 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.948 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -26.31 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 52.44 110.822 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.27 -20.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 70.21 112.505 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.84 -24.57 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 73.43 110.875 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.6 -28.79 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 61.43 111.071 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.22 -33.56 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 73.14 112.46 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -52.69 -37.67 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 74.31 110.857 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.09 56.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 63.23 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mt -85.74 -15.15 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.162 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 62.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.787 0.327 . . . . 71.0 111.106 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -51.61 -30.04 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 63.2 110.872 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -52.06 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 71.14 110.943 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -68.64 -28.96 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.14 110.913 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -69.18 -31.97 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.43 110.855 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.613 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.7 m95 -64.27 -52.85 56.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.889 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.4 p -67.17 -30.61 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 61.42 110.819 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -62.52 -17.45 59.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 71.42 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.0 mt -80.41 -41.59 24.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.933 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -22.54 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.88 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -70.93 -10.2 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 62.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.37 -19.99 9.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 53.33 112.503 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.52 -41.8 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 72.51 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.07 -26.19 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.4 110.905 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -27.27 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.854 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.99 -19.17 1.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 54.44 112.466 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -58.12 -24.46 58.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 71.52 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.08 -24.83 42.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.04 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.501 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -127.54 -41.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 71.02 112.527 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -55.36 -26.37 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 74.4 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.76 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 43.55 111.156 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 20' ' ' GLY . 8.6 mt -73.08 -22.93 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 74.32 111.164 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.861 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.723 0.297 . . . . 74.03 111.051 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -51.56 -30.4 20.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 64.43 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -52.79 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 55.1 110.934 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -66.32 -32.03 73.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.854 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.01 -29.4 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.608 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.8 m95 -64.74 -53.76 42.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 70.11 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.845 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.78 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.869 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.5 mt -62.1 -58.52 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.892 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -34.17 73.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.886 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -51.25 -34.43 32.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.23 110.908 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.82 -31.14 21.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 51.11 112.457 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.64 -28.8 61.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 74.02 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -68.97 -25.88 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.883 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -59.21 -25.82 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.37 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 62.35 112.422 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 22.9 mm-40 -60.41 -20.1 58.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 65.31 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.91 -24.73 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 64.14 111.118 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.61 -38.08 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 75.54 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.52 -40.11 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 73.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -58.79 -21.96 57.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 63.04 111.137 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.1 mp -100.93 6.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 52.41 111.106 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.837 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 74.14 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -60.31 -36.25 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -36.44 79.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 64.15 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -70.6 -26.02 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.3 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 10' ' ' LEU . 14.3 t80 -87.96 -50.76 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.35 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -60.41 -49.67 76.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 52.32 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.9 p -61.49 -34.93 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.855 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -57.53 -32.94 67.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.83 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -85.61 -36.61 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 53.24 110.887 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -48.54 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.89 -30.83 25.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 70.31 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 -30.01 30.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 71.43 112.466 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.35 -38.96 49.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.362 . . . . 73.52 110.865 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -26.6 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.902 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.89 -26.27 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.62 -21.15 2.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 61.24 112.479 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.1 -24.27 52.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 60.25 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.01 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 52.42 111.069 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.35 -41.69 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.01 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -57.93 -24.87 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 63.34 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.38 -16.3 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 62.5 111.129 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 23' ' ' ILE . 22.4 mt -96.18 -6.79 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 62.22 111.119 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.882 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.773 0.321 . . . . 53.54 111.063 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -55.58 -36.35 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.944 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.16 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 63.22 110.869 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -70.54 -31.57 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 62.1 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 10' ' ' LEU . 18.4 t80 -80.93 -50.4 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 54.43 110.878 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.9 -53.57 55.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 75.13 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -56.08 -36.55 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 42.4 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.05 -34.54 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.01 110.849 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -85.73 -36.17 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 71.12 110.92 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.56 -47.57 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.928 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -52.72 -31.44 37.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.948 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.67 -29.93 34.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.508 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -79.63 -26.49 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 75.34 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -26.23 65.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.28 -26.12 68.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 44.42 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.3 -20.37 1.9 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 54.12 112.481 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 50.4 mt-10 -56.83 -24.73 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 72.44 110.873 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.0 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.24 111.095 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.39 -45.13 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 72.42 112.53 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -56.1 -41.05 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 71.22 110.887 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -75.22 -6.3 49.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.14 111.094 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.6 mm -94.85 25.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 72.24 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.44 110.918 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.794 0.331 . . . . 52.12 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.8 -29.81 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.914 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -44.96 89.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -70.06 -34.45 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.938 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.457 ' CE2' HD11 ' A' ' 10' ' ' LEU . 49.0 t80 -71.87 -49.89 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.04 110.926 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.652 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.1 m95 -51.88 -50.57 60.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.897 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -66.96 -35.22 79.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.884 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -57.49 -23.42 49.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.896 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 7' ' ' TRP . 1.5 mt -84.75 -32.37 23.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -24.32 64.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.842 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -72.77 -26.68 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.928 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -30.99 16.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 74.41 112.494 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -79.88 -29.92 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 71.13 110.94 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.48 -26.52 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.875 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.834 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.15 -20.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 63.32 112.485 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.02 -21.91 59.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 74.41 110.922 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.29 -25.23 32.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.079 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -132.81 -36.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 62.23 112.487 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.76 -29.53 40.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 72.12 110.889 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.24 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.21 111.089 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 20' ' ' GLY . 7.2 mt -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 51.55 111.131 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.868 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.771 0.319 . . . . 40.21 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -51.47 -29.85 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.908 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -62.76 -45.36 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.907 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.58 -36.43 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.84 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -63.07 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.57 ' HA ' HD12 ' A' ' 10' ' ' LEU . 7.7 m95 -51.85 -53.57 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 65.12 110.929 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -67.25 -31.02 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.833 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -59.23 -20.6 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.889 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -79.7 -50.27 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 71.2 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -22.73 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.924 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -51.71 -32.2 29.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.856 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.67 -27.99 11.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 65.14 112.495 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -72.1 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 74.31 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -26.34 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 65.54 110.893 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -26.23 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.892 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.1 -21.36 1.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 71.21 112.46 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.0 -24.42 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 71.32 110.876 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -24.92 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.36 -33.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 45.42 112.496 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.9 -26.63 68.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 62.14 110.918 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.67 -55.04 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.098 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 pt -72.71 -8.07 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.32 111.172 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 65.52 110.865 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.76 0.314 . . . . 34.54 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -63.64 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -40.94 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.94 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -69.61 -28.77 66.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 62.33 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.748 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 25.0 t80 -81.1 -52.01 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.783 ' HA ' HD12 ' A' ' 10' ' ' LEU . 4.3 m95 -51.72 -46.65 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 71.23 110.876 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -33.86 76.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 62.42 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -68.81 -15.2 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.798 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 7' ' ' TRP . 9.9 mt -88.39 -50.95 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 55.34 110.892 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -52.06 -28.59 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -51.08 -33.21 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.903 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.12 38.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 44.21 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . 79.6 m-85 -80.05 -26.27 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.31 110.888 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.58 -16.48 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -57.62 -28.43 63.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 50.33 110.858 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.24 -4.12 4.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 71.12 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.7 -32.16 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 73.45 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . . . -60.41 -18.51 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.03 111.094 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.08 -32.04 2.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 64.32 112.494 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.74 -38.49 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 62.52 110.871 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -14.05 60.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 33.41 111.115 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.2 mm -94.87 25.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.126 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 70.3 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.541 -0.224 . . . . 52.15 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.34 -34.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 54.22 111.122 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -51.4 -33.58 30.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -53.44 57.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 74.12 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -67.19 -27.95 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 71.42 110.904 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.96 -32.29 70.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.498 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.7 m95 -64.55 -53.8 42.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 75.11 110.953 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -67.17 -31.9 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 73.23 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -57.1 -23.43 46.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 65.21 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.5 mt -76.88 -53.18 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.944 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -23.93 63.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 64.54 110.857 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -51.69 -30.89 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 62.33 110.938 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.76 -30.78 14.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 74.23 112.512 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -72.12 -27.8 62.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 55.43 110.885 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.45 -26.55 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 73.22 110.929 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.09 -25.76 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 64.41 110.877 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.9 -20.47 1.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 72.44 112.442 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -57.33 -24.41 54.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 75.31 110.877 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.29 39.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 52.34 111.128 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.81 -41.08 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 70.41 112.487 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -53.82 -44.65 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 73.14 110.907 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.99 64.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.127 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.85 -21.73 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 62.44 111.155 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.89 25.67 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.873 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.875 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.252 . . . . 70.34 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.52 -35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 64.22 111.08 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -56.41 -24.98 48.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.926 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -48.11 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 71.22 110.936 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -69.12 -22.31 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.911 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -83.8 -52.39 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.857 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.644 ' HA ' HD12 ' A' ' 10' ' ' LEU . 4.3 m95 -52.63 -47.67 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.931 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.7 p -66.8 -35.29 79.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.865 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.3 t -56.68 -22.28 33.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.865 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.2 mt -84.1 -50.56 7.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -65.73 -33.0 74.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -72.41 -25.98 61.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.899 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.91 -31.12 21.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 72.11 112.496 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -80.06 -28.83 39.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 64.11 110.881 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -24.04 67.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.2 110.926 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -55.73 -25.86 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 73.51 110.887 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.79 -16.23 1.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 64.12 112.493 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 5.1 mm-40 -64.88 -24.32 67.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 62.43 110.87 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.47 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.13 111.077 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.34 -49.02 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 45.02 112.536 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -52.92 -46.69 68.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.02 110.873 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -66.65 -20.9 66.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 51.03 111.119 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mm -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 64.44 111.131 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 54.91 25.62 6.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.861 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 52.42 110.857 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 71.24 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.56 -16.02 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 72.2 111.088 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.74 -29.54 19.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -66.06 -44.39 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -70.18 -29.05 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 10' ' ' LEU . 46.4 t80 -77.96 -53.75 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -57.67 -56.24 24.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.943 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -52.11 -39.09 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 45.43 110.858 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -57.24 -38.93 74.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -82.57 -33.38 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.934 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -43.39 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.857 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -66.49 -28.89 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.924 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.72 -30.89 46.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.753 . . . . 64.24 112.539 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.03 -35.2 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 72.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.72 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 42.22 110.908 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -59.4 -26.2 64.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.867 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.61 -18.55 1.65 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 60.41 112.47 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -63.61 -23.97 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 74.11 110.844 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.85 -25.16 40.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 60.53 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.528 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -127.24 -43.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.493 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -55.63 -25.97 41.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 73.23 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.54 -19.76 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 51.42 111.079 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 20' ' ' GLY . 8.2 mt -73.17 -22.91 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 71.24 111.129 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 52.7 62.45 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.897 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.861 -179.867 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.516 -0.233 . . . . 44.2 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.25 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 63.22 111.097 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -61.13 -29.47 69.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.908 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -42.67 96.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 65.53 110.9 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 -36.13 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 64.15 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.542 ' O ' HD12 ' A' ' 10' ' ' LEU . 33.9 t80 -71.99 -51.1 23.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 72.01 110.845 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -58.88 -57.41 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 t -51.95 -37.93 54.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.827 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -57.05 -37.79 72.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.798 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -83.26 -33.74 25.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.951 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -43.56 63.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.865 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.28 -29.83 70.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.55 110.92 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.27 -30.65 45.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.723 . . . . 42.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -79.19 -36.87 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 61.22 110.917 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -26.34 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.882 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.65 -26.08 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 62.14 110.837 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.44 -19.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 74.24 112.462 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.25 -26.82 61.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 74.11 110.895 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.11 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 64.24 111.13 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.5 -28.38 1.46 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 55.54 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -74.88 -23.13 58.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 65.12 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -17.94 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 52.31 111.119 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.0 mp -97.57 -1.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.42 111.108 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 55.28 26.15 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 52.34 110.891 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.858 -179.876 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 31.21 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.44 -16.1 59.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.752 0.31 . . . . 71.13 111.078 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -51.7 -29.62 18.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.902 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -65.98 -44.3 85.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 62.02 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -70.28 -29.37 66.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.563 ' O ' HD12 ' A' ' 10' ' ' LEU . 46.6 t80 -77.54 -53.61 7.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 73.4 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -57.66 -56.3 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -52.12 -39.0 59.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 70.54 110.886 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -57.28 -38.94 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 75.25 110.809 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -82.6 -33.36 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 72.13 110.898 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -43.47 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 65.01 110.907 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -66.4 -28.63 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.41 110.937 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.64 -31.02 37.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 53.34 112.518 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -79.99 -31.62 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 74.22 110.923 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -26.56 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.944 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.09 -26.6 66.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 53.45 110.875 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.26 -18.56 1.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 71.54 112.47 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 30.3 mt-10 -61.52 -18.74 60.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 74.42 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.11 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 72.14 111.09 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -140.05 -38.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 55.52 112.483 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -65.13 -25.96 67.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.331 . . . . 64.33 110.819 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -75.4 -22.25 57.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.45 111.123 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.6 mp -100.68 0.73 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.59 69.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.7 mtp85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 72.52 110.896 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.511 -0.236 . . . . 72.4 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.71 -16.61 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 64.41 111.092 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -51.84 -29.28 18.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 64.04 110.963 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -39.71 95.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.15 110.908 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -70.05 -39.51 75.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.878 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -70.29 -51.12 32.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.899 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.668 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.6 m95 -51.51 -49.43 61.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.923 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.3 p -66.9 -27.92 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.795 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -68.51 -15.31 63.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.834 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.5 mt -87.08 -46.46 9.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.18 -22.3 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.33 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -53.09 -29.77 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -28.77 17.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 71.12 112.505 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -75.35 -27.1 59.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 72.3 110.888 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -26.42 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.941 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.22 -26.24 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.886 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.08 -19.64 1.76 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.747 . . . . 73.3 112.5 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.79 -24.02 61.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.359 . . . . 64.42 110.87 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.81 -25.11 40.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.42 111.108 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.14 -38.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 74.11 112.543 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -57.11 -28.25 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 74.24 110.886 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.29 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 54.4 111.084 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.6 mm -96.24 25.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.5 111.102 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -18.64 65.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.909 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.885 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 75.14 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.46 -12.0 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 71.21 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -52.11 -27.68 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.94 -46.85 81.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 24.43 110.884 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -70.54 -38.38 74.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.576 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.7 m95 -51.62 -53.21 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.956 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -67.05 -30.38 70.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.881 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -60.14 -19.66 54.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 54.25 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -80.79 -48.57 12.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.53 110.912 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -63.26 -19.15 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 64.22 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -54.51 -32.9 58.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.88 -24.91 21.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 73.42 112.505 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -73.56 -30.81 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 63.24 110.923 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -26.38 66.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -62.35 -26.39 68.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 75.3 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 -20.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 72.53 112.508 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.62 -24.85 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 73.2 110.878 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.99 41.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.03 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.62 -42.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 65.42 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.96 -31.9 63.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 72.13 110.869 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.57 -21.53 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.068 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mt -85.59 -14.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 62.12 111.154 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 51.15 60.52 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.51 110.898 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.515 -0.234 . . . . 73.23 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.23 -17.12 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 72.35 111.112 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.9 -29.39 19.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.923 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -40.11 96.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.916 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 62.55 110.897 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 19.0 t80 -71.24 -52.49 18.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.854 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.733 ' HA ' HD12 ' A' ' 10' ' ' LEU . 7.4 m95 -51.43 -52.19 48.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.927 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -61.26 -32.49 72.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -68.88 -15.0 63.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.889 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 7' ' ' TRP . 12.6 mt -87.98 -51.37 5.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 73.35 110.879 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -51.86 -28.79 17.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.861 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -51.06 -31.12 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.05 -26.81 33.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.524 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -79.81 -28.8 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 64.54 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -26.39 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 63.2 110.911 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.46 -26.29 68.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 75.21 110.866 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.17 -20.7 1.74 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 23.13 112.489 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.59 -24.83 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 62.52 110.885 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.05 -24.88 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.4 111.084 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 23' ' ' ILE . . . -127.69 -42.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 63.25 112.46 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -26.04 54.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 75.15 110.837 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.78 -20.63 63.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.21 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 20' ' ' GLY . 27.8 mt -75.04 -21.95 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 63.11 111.128 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 51.48 67.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.889 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.499 -0.24 . . . . 75.35 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.02 -35.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 72.42 111.113 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -58.84 -24.91 62.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -42.75 75.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 75.31 110.883 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -69.79 -37.61 76.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.914 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -69.34 -49.76 52.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 54.01 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.587 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.6 m95 -51.74 -51.33 57.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.875 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 p -66.87 -32.22 73.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 72.14 110.848 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -58.1 -20.85 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 65.11 110.87 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 7' ' ' TRP . 1.6 mt -84.56 -48.1 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 53.33 110.935 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -69.1 -33.17 73.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.31 110.868 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -72.35 -25.9 61.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 60.01 110.934 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.11 22.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 60.05 112.476 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.89 -31.79 40.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.04 110.897 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -26.04 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.918 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.96 -26.19 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.08 1.62 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 72.13 112.444 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -63.04 -23.78 67.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 75.34 110.898 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.2 -27.02 31.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 54.32 111.085 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.25 -35.8 0.52 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 74.34 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -56.26 -42.06 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.328 . . . . 65.3 110.823 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.1 -17.04 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 15.14 111.132 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mt -90.72 -11.56 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.121 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.82 25.24 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.934 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.841 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.468 -0.253 . . . . 54.14 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.23 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 74.24 111.141 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -51.89 -35.64 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.953 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -57.54 -47.36 82.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 65.33 110.896 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.72 -36.91 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.711 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 56.0 t80 -64.49 -54.66 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.92 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -51.77 -58.82 5.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 63.33 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -53.19 -38.0 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.869 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -56.38 -39.29 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 64.1 110.898 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.711 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 mp -80.4 -37.38 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.922 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -49.49 57.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 61.44 110.868 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -51.95 -30.05 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.912 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.34 38.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 53.3 112.502 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -79.78 -29.36 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 74.3 110.869 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -26.44 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 62.34 110.938 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -60.68 -26.17 66.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 54.22 110.871 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.83 -19.58 1.62 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.21 112.468 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.64 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 63.43 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -25.02 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.122 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.7 -43.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 74.22 112.475 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -33.71 64.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 72.42 110.893 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.25 -20.69 59.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 65.52 111.096 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -66.93 -20.03 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.22 111.124 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 60.1 24.67 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.877 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.248 . . . . 61.52 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -16.23 53.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 63.41 111.118 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -51.51 -27.87 11.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -45.29 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 73.35 110.876 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -71.76 -39.81 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 71.45 110.934 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -61.24 -49.13 78.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.21 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.61 ' HA ' HD12 ' A' ' 10' ' ' LEU . 8.7 m95 -51.55 -52.48 46.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.929 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 p -66.92 -30.22 70.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.868 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -60.78 -18.93 58.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 72.53 110.898 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -81.58 -50.62 9.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.925 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -59.44 -21.45 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 62.04 110.865 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -51.73 -32.55 30.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.73 -30.78 8.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 74.15 112.488 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -69.3 -36.68 77.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 75.55 110.882 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -26.4 65.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 62.52 110.927 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -61.41 -26.17 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 62.13 110.875 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.28 -19.54 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 41.4 112.519 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -58.58 -27.02 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.343 . . . . 74.5 110.883 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.22 48.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 73.41 111.124 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.577 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -122.01 -27.48 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 73.1 112.534 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -76.01 -24.89 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 70.22 110.885 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.34 52.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.32 111.104 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 20' ' ' GLY . 2.5 mp -77.81 -19.33 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 71.21 111.131 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.57 68.0 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 62.14 110.877 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 64.21 110.866 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 72.45 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.26 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 72.34 111.104 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -61.32 -28.67 69.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.87 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -42.49 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 75.31 110.919 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -69.65 -36.14 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.887 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.507 ' CE2' HD11 ' A' ' 10' ' ' LEU . 27.8 t80 -72.42 -50.66 24.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.899 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.724 ' HA ' HD12 ' A' ' 10' ' ' LEU . 5.8 m95 -51.62 -48.26 63.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 64.35 110.947 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -31.44 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.864 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -68.5 -15.03 63.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 53.22 110.829 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 7' ' ' TRP . 12.4 mt -85.26 -48.72 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 63.52 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.57 -30.63 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -56.78 -32.6 65.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 61.22 110.869 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.42 -26.83 9.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 42.43 112.481 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -71.73 -30.93 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 70.15 110.901 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -28.49 66.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 64.13 110.937 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -62.56 -26.54 68.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 61.3 110.822 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.42 -19.69 2.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 72.24 112.462 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.86 -27.1 50.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 73.1 110.883 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.78 -24.12 48.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.54 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.12 -27.67 1.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 72.23 112.52 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -75.86 -23.25 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 73.31 110.855 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.47 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 52.41 111.107 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.1 mp -97.45 1.53 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 63.13 111.095 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.91 64.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.01 110.86 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.431 -0.268 . . . . 73.24 112.431 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.58 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.736 0.303 . . . . 63.12 111.048 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -64.49 -35.86 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.923 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -40.05 73.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 55.51 110.899 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -69.85 -25.06 63.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 10' ' ' LEU . 27.6 t80 -85.69 -53.21 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.853 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -60.6 -55.39 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 72.14 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -53.05 -37.74 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 71.3 110.841 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.66 -37.09 72.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.45 110.839 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -84.15 -33.5 24.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.939 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -43.36 63.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.859 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -66.18 -29.95 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.73 -30.27 36.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 32.53 112.491 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -78.17 -33.46 50.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 73.5 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -26.42 62.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.948 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -26.31 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 52.44 110.822 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.27 -20.72 1.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 70.21 112.505 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.84 -24.57 52.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 73.43 110.875 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.6 -28.79 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 61.43 111.071 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.22 -33.56 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 73.14 112.46 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -52.69 -37.67 59.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 74.31 110.857 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.09 56.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 63.23 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mt -85.74 -15.15 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.162 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 46.21 49.7 12.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 62.42 110.882 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 64.53 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.39 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 71.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -51.61 -30.04 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 63.2 110.872 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -52.06 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 71.14 110.943 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -68.64 -28.96 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.14 110.913 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -69.18 -31.97 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 64.43 110.855 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.613 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.7 m95 -64.27 -52.85 56.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 73.03 110.889 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.4 p -67.17 -30.61 70.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 61.42 110.819 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -62.52 -17.45 59.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 71.42 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.0 mt -80.41 -41.59 24.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.933 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -22.54 44.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.88 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -70.93 -10.2 59.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 62.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.37 -19.99 9.48 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 53.33 112.503 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.52 -41.8 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 72.51 110.91 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.07 -26.19 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.4 110.905 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -27.27 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.854 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.99 -19.17 1.59 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 54.44 112.466 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -58.12 -24.46 58.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 71.52 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.08 -24.83 42.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.04 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.501 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -127.54 -41.62 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 71.02 112.527 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -55.36 -26.37 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 74.4 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.0 -19.76 63.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 43.55 111.156 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 ' O ' ' A' ' 20' ' ' GLY . 8.6 mt -73.08 -22.93 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 74.32 111.164 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 52.6 54.71 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.861 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.846 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 34.33 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.33 -34.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.723 0.297 . . . . 74.03 111.051 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -51.56 -30.4 20.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.267 -0.424 . . . . 64.43 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -52.79 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 55.1 110.934 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -66.32 -32.03 73.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.854 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.01 -29.4 69.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.608 ' HA ' HD12 ' A' ' 10' ' ' LEU . 2.8 m95 -64.74 -53.76 42.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 70.11 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 p -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.845 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.84 -29.78 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.869 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 7' ' ' TRP . 5.5 mt -62.1 -58.52 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.892 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -34.17 73.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.886 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -51.25 -34.43 32.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.23 110.908 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.82 -31.14 21.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 51.11 112.457 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.64 -28.8 61.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 74.02 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -68.97 -25.88 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.883 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -59.21 -25.82 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.13 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.51 -18.37 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 62.35 112.422 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 22.9 mm-40 -60.41 -20.1 58.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 65.31 110.913 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.91 -24.73 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 64.14 111.118 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.61 -38.08 0.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 75.54 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -66.52 -40.11 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 73.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -58.79 -21.96 57.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 63.04 111.137 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 23' ' ' ILE . 2.1 mp -100.93 6.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 52.41 111.106 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.88 65.29 1.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.837 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.872 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.481 -0.248 . . . . 52.31 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.44 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 74.14 111.085 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 63.6 p-90 -60.31 -36.25 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.55 110.967 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -36.44 79.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 64.15 110.918 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -70.6 -26.02 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 71.3 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 10' ' ' LEU . 14.3 t80 -87.96 -50.76 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.35 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -60.41 -49.67 76.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 52.32 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.9 p -61.49 -34.93 76.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.855 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -57.53 -32.94 67.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.83 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -85.61 -36.61 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 53.24 110.887 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -48.54 56.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.873 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -51.89 -30.83 25.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 70.31 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.73 -30.01 30.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 71.43 112.466 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.35 -38.96 49.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.362 . . . . 73.52 110.865 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -26.6 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.902 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.89 -26.27 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.868 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.62 -21.15 2.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 61.24 112.479 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.1 -24.27 52.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 60.25 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.01 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 52.42 111.069 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.35 -41.69 0.27 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.01 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -57.93 -24.87 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 63.34 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.38 -16.3 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 62.5 111.129 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 23' ' ' ILE . 22.4 mt -96.18 -6.79 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 62.22 111.119 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.17 24.98 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.882 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.842 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.519 -0.232 . . . . 63.25 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.65 -42.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 53.54 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -55.58 -36.35 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.944 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.16 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 63.22 110.869 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -70.54 -31.57 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 62.1 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 10' ' ' LEU . 18.4 t80 -80.93 -50.4 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 54.43 110.878 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -60.9 -53.57 55.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.488 . . . . 75.13 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -56.08 -36.55 68.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 42.4 110.845 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -57.05 -34.54 68.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.01 110.849 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -85.73 -36.17 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 71.12 110.92 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.56 -47.57 57.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.928 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -52.72 -31.44 37.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.948 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.67 -29.93 34.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.508 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -79.63 -26.49 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 75.34 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -26.23 65.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.5 110.882 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.28 -26.12 68.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 44.42 110.86 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.3 -20.37 1.9 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.763 -0.732 . . . . 54.12 112.481 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 50.4 mt-10 -56.83 -24.73 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 72.44 110.873 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.0 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.24 111.095 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.39 -45.13 0.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 72.42 112.53 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -56.1 -41.05 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 71.22 110.887 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -75.22 -6.3 49.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.14 111.094 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.6 mm -94.85 25.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 72.24 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -26.45 66.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.44 110.918 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 65.34 110.899 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.49 -0.244 . . . . 75.32 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.3 -35.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.794 0.331 . . . . 52.12 111.141 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -51.8 -29.81 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.914 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -44.96 89.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -70.06 -34.45 73.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.938 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.457 ' CE2' HD11 ' A' ' 10' ' ' LEU . 49.0 t80 -71.87 -49.89 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.04 110.926 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.652 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.1 m95 -51.88 -50.57 60.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.897 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -66.96 -35.22 79.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.884 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -57.49 -23.42 49.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.896 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 7' ' ' TRP . 1.5 mt -84.75 -32.37 23.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -24.32 64.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.842 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -72.77 -26.68 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 70.52 110.928 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -30.99 16.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 74.41 112.494 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -79.88 -29.92 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 71.13 110.94 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.48 -26.52 66.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 74.34 110.875 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.834 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.15 -20.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 63.32 112.485 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.02 -21.91 59.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.371 . . . . 74.41 110.922 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.29 -25.23 32.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.079 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 23' ' ' ILE . . . -132.81 -36.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 62.23 112.487 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -53.76 -29.53 40.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 72.12 110.889 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.1 -21.24 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 72.21 111.089 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 20' ' ' GLY . 7.2 mt -74.89 -21.8 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 51.55 111.131 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.81 68.25 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.868 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.87 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.436 -0.266 . . . . 62.52 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.4 55.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 40.21 111.134 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -51.47 -29.85 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.908 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -62.76 -45.36 93.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.907 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.58 -36.43 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.84 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -63.07 -46.8 85.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.875 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.57 ' HA ' HD12 ' A' ' 10' ' ' LEU . 7.7 m95 -51.85 -53.57 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 65.12 110.929 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -67.25 -31.02 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 70.12 110.833 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -59.23 -20.6 55.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.889 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 7' ' ' TRP . 2.7 mt -79.7 -50.27 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 71.2 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -22.73 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.924 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -51.71 -32.2 29.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.856 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.67 -27.99 11.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 65.14 112.495 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -72.1 -34.79 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 74.31 110.877 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -26.34 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 65.54 110.893 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.99 -26.23 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.892 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.1 -21.36 1.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 71.21 112.46 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.0 -24.42 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 71.32 110.876 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -24.92 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.36 -33.61 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 45.42 112.496 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.9 -26.63 68.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 62.14 110.918 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.67 -55.04 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.098 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 pt -72.71 -8.07 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.32 111.172 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.06 64.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 65.52 110.865 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 65.44 110.889 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.503 -0.239 . . . . 74.24 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.59 -40.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.76 0.314 . . . . 34.54 111.11 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -63.64 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -40.94 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.94 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -69.61 -28.77 66.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 62.33 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.748 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 25.0 t80 -81.1 -52.01 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.783 ' HA ' HD12 ' A' ' 10' ' ' LEU . 4.3 m95 -51.72 -46.65 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 71.23 110.876 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -33.86 76.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 62.42 110.828 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -68.81 -15.2 63.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.798 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 7' ' ' TRP . 9.9 mt -88.39 -50.95 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 55.34 110.892 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -52.06 -28.59 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -51.08 -33.21 24.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.903 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.12 38.7 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 44.21 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . 79.6 m-85 -80.05 -26.27 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 71.31 110.888 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -63.58 -16.48 60.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.919 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -57.62 -28.43 63.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 50.33 110.858 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.24 -4.12 4.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 71.12 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -72.7 -32.16 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 73.45 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . . . -60.41 -18.51 51.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.03 111.094 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.08 -32.04 2.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 64.32 112.494 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -74.74 -38.49 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 62.52 110.871 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -14.05 60.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 33.41 111.115 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 23' ' ' ILE . 8.2 mm -94.87 25.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.126 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -18.71 65.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 70.3 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 72.54 110.874 -179.914 . . . . . . . . 1 1 . 1 stop_ save_