data_5ucf_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 5ucf _Structure_validation_residue.Date_analyzed 2017-08-18 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.854 0.359 . . . . 74.22 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.3 m -104.3 117.48 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -133.21 167.62 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.879 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -134.58 159.29 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 74.22 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.51 123.85 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.13 111.087 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tp -116.93 139.49 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.106 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -106.37 135.4 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -115.71 76.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.888 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.65 161.64 12.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 71.24 112.465 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -91.89 -28.51 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 75.31 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -107.37 -43.11 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.42 111.109 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.72 111.99 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.89 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -127.84 133.8 49.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.884 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.41 -161.15 9.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 72.31 112.525 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.75 117.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 74.53 110.888 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -132.04 169.39 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.14 111.136 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -111.43 166.98 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 70.23 111.128 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.25 119.45 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.161 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.52 104.83 11.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.891 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.48 166.82 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 70.43 111.079 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.15 -51.0 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.23 111.18 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.13 -177.35 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.861 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.12 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.07 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.31 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.41 111.107 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -57.36 -42.15 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 73.41 111.153 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.41 -25.24 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 74.02 111.114 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.904 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -54.09 -36.86 63.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.938 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.47 -28.59 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.1 111.159 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.27 -45.33 63.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -27.32 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 75.31 110.884 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.57 -34.43 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.26 -26.44 30.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.03 110.933 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.873 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -82.66 -30.73 29.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 71.51 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.29 -40.84 62.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 72.53 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -100.64 -20.92 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.12 110.878 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 38.74 94.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 73.32 112.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.91 155.95 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 75.43 110.921 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -107.8 67.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.04 158.83 20.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 73.22 112.453 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -113.19 125.38 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 72.22 110.901 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.38 148.13 22.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -143.66 129.96 19.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 73.22 111.129 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -85.29 110.4 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 64.41 110.952 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.56 76.56 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.42 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.93 -24.52 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -36.38 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.071 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -131.97 17.11 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 70.21 111.146 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 51.64 48.07 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.55 110.86 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -135.52 149.0 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 73.53 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -101.89 113.93 27.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 74.22 110.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -94.52 134.1 37.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.158 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.6 t -115.3 102.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.54 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -104.86 103.23 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.51 111.147 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.901 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 74.22 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -104.57 133.82 48.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 63.31 111.138 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -138.62 170.3 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -138.14 150.19 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.07 134.01 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.089 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -116.02 139.09 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.13 111.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -109.33 127.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.145 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -89.76 157.28 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.11 110.804 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.03 116.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 71.24 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -39.82 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 75.31 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -69.99 -36.52 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.173 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -164.43 145.38 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -120.02 164.0 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.9 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.81 153.35 23.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 72.31 112.495 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -138.17 115.31 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 74.53 110.893 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 p -139.85 151.72 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 72.14 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 162.19 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 70.23 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 75.13 111.111 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -119.54 119.22 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.33 110.903 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.73 146.41 20.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 70.43 111.08 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.83 -26.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.122 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.16 157.85 27.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.37 -36.96 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.22 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.37 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.41 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.4 m -57.2 -48.32 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 73.41 111.152 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -25.21 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 74.02 111.136 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.53 -47.69 80.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.31 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -55.51 -34.82 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.899 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.52 -39.88 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 72.1 111.155 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -85.03 -28.36 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.857 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -54.03 -30.18 46.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.845 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.18 -26.36 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -74.15 -26.46 60.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 75.03 110.94 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.76 -40.31 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.89 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.59 -27.67 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 71.51 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.48 -43.93 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.53 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -96.82 -20.93 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 70.12 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.03 27.03 72.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.834 -0.698 . . . . 73.32 112.431 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 129.9 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.331 . . . . 75.43 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -100.53 69.21 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.89 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 168.02 51.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 73.22 112.507 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -99.47 110.77 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 72.22 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -82.98 141.79 31.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.2 156.9 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 73.22 111.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.52 102.0 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.893 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.66 75.21 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 74.42 110.843 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.98 -24.43 53.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.833 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.11 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.25 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.2 p -131.34 16.25 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 70.21 111.119 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 51.58 51.58 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.55 110.954 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.7 m -140.28 146.9 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.53 111.133 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -97.91 115.09 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -94.45 118.26 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.15 111.128 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.49 115.65 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.54 111.127 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.72 102.7 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.112 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 71.1 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 74.22 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -94.3 108.99 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 63.31 111.081 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -106.82 167.74 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -124.41 148.22 47.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.887 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.68 125.41 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.13 111.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -120.15 139.05 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.13 111.146 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mm -113.43 129.62 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.149 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.44 88.28 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.837 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.25 154.37 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 71.24 112.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -50.88 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 75.31 110.918 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -108.7 -47.57 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.42 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -127.5 131.55 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.907 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.78 172.62 12.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 74.53 110.935 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.71 3.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 72.31 112.449 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -167.74 134.93 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.022 0.439 . . . . 74.53 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -126.12 168.91 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 72.14 111.115 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -120.44 147.46 45.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 70.23 111.074 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -125.02 130.04 51.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.13 111.157 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.64 109.45 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 75.33 110.908 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.43 162.25 41.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 70.43 111.058 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.93 -52.41 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 73.23 111.14 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -123.07 160.96 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.886 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.21 79.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.22 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.75 -37.35 50.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.41 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 m -55.28 -32.13 62.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 73.41 111.156 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.18 -30.07 43.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.02 111.089 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -54.34 29.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 72.31 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -52.86 -29.15 26.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -81.82 -42.14 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.1 111.129 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.79 -54.1 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -31.23 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.95 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -66.07 -44.78 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.11 -26.65 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.95 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.03 -35.31 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 75.41 110.855 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.41 -48.64 10.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.41 -45.85 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.93 -20.92 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 70.12 110.901 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.35 20.56 61.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.772 . . . . 73.32 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.04 131.89 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 75.43 110.948 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.34 83.09 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.869 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.01 161.72 23.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 73.22 112.462 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.08 124.44 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 72.22 110.881 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -94.82 149.12 21.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.7 p -149.4 135.66 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 73.22 111.145 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -86.12 129.51 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 64.41 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.69 80.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.32 -22.72 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.03 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.53 -32.54 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.25 111.135 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -134.9 15.86 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 51.62 48.07 23.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.55 110.92 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 m -142.33 148.49 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.53 111.177 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.18 117.85 31.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 m -94.8 135.16 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.15 111.197 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.9 t -119.57 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 74.54 111.174 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.13 102.37 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.51 111.17 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.1 110.858 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 74.22 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.2 m -90.84 125.19 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 63.31 111.1 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -123.0 155.63 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.867 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -120.68 155.35 34.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.91 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.41 120.51 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.144 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -114.9 136.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 75.13 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -114.76 138.6 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.126 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -107.75 76.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.836 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -173.4 3.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 71.24 112.411 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -93.05 -46.13 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 75.31 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -122.77 -43.89 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 75.42 111.174 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.26 109.19 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.952 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.53 110.968 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.49 -179.37 16.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 72.31 112.46 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -164.18 146.92 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 74.53 110.896 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -150.63 163.72 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.14 111.167 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -114.5 157.72 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 70.23 111.103 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.63 136.54 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 75.13 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -129.15 113.02 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.66 179.5 6.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 70.43 111.088 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.2 -48.04 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.23 111.181 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.0 162.82 25.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.894 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.7 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 73.22 111.096 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.38 83.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 53.41 111.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 m -57.97 -35.55 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.155 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.69 40.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.02 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.36 -35.84 58.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.31 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -29.3 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.853 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.39 -44.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 72.1 111.145 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -53.71 -29.15 37.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.943 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -41.47 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 75.31 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -78.94 -29.15 43.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.36 -26.88 65.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 75.03 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -53.65 -35.82 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.826 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -83.59 -40.84 18.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.884 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.9 -20.94 16.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 70.12 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.56 20.38 61.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 73.32 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.6 mt -122.26 163.92 18.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 75.43 110.947 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -121.26 45.07 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.874 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.93 160.94 29.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.755 . . . . 73.22 112.5 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -100.43 121.49 41.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 72.22 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -90.86 149.61 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 74.11 110.945 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 p -149.81 136.52 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.22 111.155 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -86.26 129.34 34.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 64.41 110.887 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.33 79.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.839 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.11 -24.3 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.64 -36.21 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.133 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.7 p -132.37 15.25 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 70.21 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 51.64 49.51 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.55 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.3 m -140.49 149.02 41.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 73.53 111.135 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -96.95 116.3 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -94.46 133.29 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.185 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.8 t -116.7 102.77 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.17 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.7 m -106.1 101.88 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 71.1 110.883 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 74.22 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.1 m -108.91 118.92 38.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 63.31 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.47 170.91 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.7 149.84 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 74.22 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.54 128.69 46.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.13 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 tp -125.75 142.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.13 111.213 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 mm -111.55 133.9 55.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.32 111.146 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -115.95 76.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.11 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.35 174.23 32.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 71.24 112.47 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -26.95 15.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.381 . . . . 75.31 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -132.26 -47.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.42 111.166 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -108.89 103.85 12.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.926 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.21 173.58 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.903 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.84 -157.63 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 72.31 112.459 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.5 135.06 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 74.53 110.909 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -135.14 -177.22 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 72.14 111.213 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.18 158.17 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 70.23 111.157 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.9 114.34 16.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.134 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -128.37 103.8 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.906 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.08 179.82 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.43 111.11 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -81.19 -47.74 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 73.23 111.183 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -127.79 161.96 27.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.899 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.57 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.22 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.47 76.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 53.41 111.067 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -56.54 -33.22 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.171 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -25.79 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 74.02 111.076 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -75.76 -45.87 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -57.51 -25.97 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.19 -28.59 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 72.1 111.079 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.11 -47.73 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 71.33 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -55.3 -28.15 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -79.02 -34.39 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.948 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -33.12 69.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.941 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -53.88 -43.42 69.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.521 . . . . 75.41 110.923 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.42 -27.98 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 71.51 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.43 -47.23 73.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -20.94 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 70.12 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.78 19.93 77.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 73.32 112.514 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.91 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 75.43 110.932 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -126.03 94.6 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.839 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.32 152.74 22.08 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 73.22 112.522 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.09 119.15 35.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 72.22 110.927 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -92.21 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.11 110.925 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.09 169.79 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.411 . . . . 73.22 111.153 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -119.2 115.54 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 64.41 110.959 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -102.21 80.61 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.932 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.62 -24.84 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.03 110.792 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.67 46.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.118 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.2 p -129.91 14.17 5.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.101 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 51.68 53.37 12.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 73.55 110.857 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.1 m -144.56 148.91 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.211 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -94.61 114.44 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.429 . . . . 74.22 110.855 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 t -94.53 132.83 38.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 73.15 111.165 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.62 102.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 74.54 111.111 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -110.04 101.87 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.51 111.144 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.92 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.893 0.378 . . . . 74.22 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.4 m -112.68 126.21 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.179 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -145.12 161.73 38.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.816 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.97 159.7 35.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.8 94.66 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.13 111.133 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.22 139.31 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.182 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 132.84 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.122 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -105.48 82.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.887 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.56 172.91 50.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 71.24 112.499 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -53.0 -55.79 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 75.31 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -124.59 -37.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 75.42 111.174 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.19 120.42 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.963 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -85.51 126.48 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.892 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.05 155.28 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 72.31 112.421 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -153.53 132.92 12.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 74.53 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.26 164.79 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 72.14 111.125 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -117.05 146.74 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.23 111.092 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.07 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 75.13 111.159 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -128.02 103.05 7.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.851 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.37 158.46 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 70.43 111.136 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.45 -26.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 73.23 111.187 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.81 161.48 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.43 -28.34 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.084 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.87 -43.84 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 53.41 111.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.2 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.41 111.099 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.08 -26.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.02 111.09 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -76.12 -29.63 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 72.31 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.78 -27.23 68.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.79 -40.84 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 72.1 111.12 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.02 -31.19 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -60.23 -50.11 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 75.31 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -72.22 -26.49 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.954 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.98 -39.45 75.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.882 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.84 -42.23 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 75.41 110.825 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.42 -26.98 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 71.51 110.947 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.97 -45.23 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 72.53 110.862 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -105.89 -20.83 13.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 70.12 110.938 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.26 20.73 71.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 73.32 112.454 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.98 160.04 15.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 75.43 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -96.44 61.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.811 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.12 144.22 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 73.22 112.453 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -98.8 113.2 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 72.22 110.906 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.35 151.68 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 167.78 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 73.22 111.088 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -114.65 117.79 31.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.78 79.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 74.42 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -57.93 -23.22 52.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.853 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -32.87 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.25 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -133.8 14.64 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 70.21 111.133 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 51.55 50.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.55 110.925 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -145.49 147.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.53 111.11 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -91.87 118.83 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.59 128.96 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.15 111.117 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.01 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 74.54 111.077 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -114.37 103.15 10.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 72.51 111.097 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 71.1 110.918 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 74.22 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -104.72 117.39 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 63.31 111.104 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -139.72 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.907 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -136.8 156.25 48.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.8 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 73.13 111.112 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 tp -111.43 133.89 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.155 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.06 135.11 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.32 111.154 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.88 96.64 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 74.11 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.01 135.43 5.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 71.24 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -73.91 -36.12 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 75.31 110.845 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 m -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 75.42 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 tp -154.87 134.13 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.01 136.04 45.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.923 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.58 -159.4 8.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 72.31 112.544 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -169.18 121.44 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 74.53 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.88 165.29 27.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.14 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.6 167.97 9.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 70.23 111.103 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -149.43 128.1 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 75.13 111.183 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -121.69 104.04 9.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.906 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.75 151.39 37.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 70.43 111.145 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.31 -27.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 73.23 111.064 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.26 154.6 27.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 73.3 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.78 76.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 73.22 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.97 87.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 53.41 111.105 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -55.35 -33.76 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.41 111.099 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.38 -25.88 38.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.02 111.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -71.81 -46.01 59.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -60.35 -27.6 67.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.25 -42.93 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.1 111.073 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -74.37 -26.52 60.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.36 -33.87 55.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.08 -27.33 39.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 74.42 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.19 -26.38 61.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.871 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -52.35 -37.03 55.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.92 -32.28 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 71.51 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -57.36 -30.82 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 72.53 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -105.45 -20.95 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 70.12 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.1 20.08 62.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.32 112.471 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.4 mt -122.78 168.5 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 75.43 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -58.01 -73.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.881 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.72 105.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 73.22 112.487 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -96.16 122.36 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 72.22 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -93.74 145.31 24.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 74.11 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.86 168.28 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.22 111.203 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -114.6 118.99 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.962 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -111.0 75.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.827 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.74 -25.82 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 73.03 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.45 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.074 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -134.99 13.62 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 70.21 111.201 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 51.77 48.67 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.55 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.9 m -142.27 148.32 37.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.53 111.215 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -98.87 115.81 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.2 t -94.46 131.33 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 73.15 111.155 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.42 108.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -105.95 101.57 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.51 111.1 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.848 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 74.22 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -101.88 114.2 28.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 63.31 111.113 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -117.36 158.49 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -118.85 154.37 33.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.943 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.24 117.59 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.13 111.092 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.76 141.12 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.102 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -105.17 132.9 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.32 111.126 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -106.5 117.78 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.93 157.74 28.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 71.24 112.443 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -95.68 -33.32 12.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 75.31 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -77.85 -40.42 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.106 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 tp -166.51 132.41 2.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -106.5 173.57 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.911 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.99 176.85 25.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 72.31 112.504 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -160.21 117.75 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 74.53 110.906 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.3 167.96 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.14 111.183 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.94 147.0 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 70.23 111.167 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.82 129.98 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 75.13 111.168 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.93 114.74 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.874 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.4 -177.38 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 70.43 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.63 -47.43 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.23 111.147 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -113.93 162.56 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.39 -24.44 64.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 73.22 111.052 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.86 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 53.41 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.9 m -58.1 -42.66 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.41 111.155 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.64 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.02 111.126 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.43 -47.31 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -51.77 -30.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.876 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.0 t -83.61 -30.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.077 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -71.28 -34.28 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.815 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -72.83 -26.03 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -59.92 -29.67 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.03 110.918 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.28 -37.73 62.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 75.41 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -83.57 -26.26 30.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.51 110.911 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.54 -46.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.824 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -92.25 -20.89 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 70.12 110.893 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.88 60.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 73.32 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 tp -113.27 153.72 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 75.43 110.904 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -104.24 82.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.852 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.23 159.38 19.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 73.22 112.459 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -104.3 112.31 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 72.22 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -80.93 140.8 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 74.11 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 166.76 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 73.22 111.147 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -118.86 116.05 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 64.41 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.24 83.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 74.42 110.933 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.84 -25.0 55.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 73.03 110.794 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.9 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.422 . . . . 73.25 111.034 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -132.03 13.63 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 70.21 111.132 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 51.62 50.92 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.857 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 m -137.24 147.99 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 73.53 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.19 113.76 26.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 74.22 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.53 117.66 30.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.15 111.107 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.58 102.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 74.54 111.141 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 m -101.18 101.65 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 72.51 111.119 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 71.1 110.906 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 74.22 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -115.01 112.0 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.31 111.115 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.38 170.86 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -118.96 147.79 43.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.903 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 120.42 25.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.13 111.09 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tp -117.15 136.45 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.068 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mm -110.65 122.45 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 74.32 111.132 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -81.1 110.39 16.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.14 148.08 18.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 71.24 112.569 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -35.65 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 75.31 110.9 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -89.5 -47.55 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.42 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -144.46 115.0 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 132.4 36.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.898 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.39 21.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 72.31 112.507 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -165.69 121.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.922 0.392 . . . . 74.53 110.854 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 p -141.86 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.209 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.8 p -133.59 149.2 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 70.23 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.17 129.67 42.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.13 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -118.29 115.21 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.923 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.03 162.92 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.43 111.119 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.5 t -70.15 -45.67 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 73.23 111.124 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -112.35 -179.28 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.3 110.845 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -28.19 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 73.22 111.08 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.64 -35.54 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 53.41 111.141 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.0 m -56.93 -36.15 69.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.41 111.134 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.14 -23.46 38.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.02 111.107 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -83.2 -28.29 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.31 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -82.14 -40.05 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.927 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.77 -23.63 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 72.1 111.094 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.35 -22.68 62.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.47 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.838 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -85.88 -29.8 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.7 -28.91 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.49 -35.34 73.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 75.41 110.851 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.62 -26.25 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.887 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.96 -43.7 94.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.908 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.71 -20.96 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.83 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.67 20.99 62.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 73.32 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tp -106.17 153.0 22.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 75.43 110.856 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -116.91 75.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.823 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.7 -179.97 37.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 73.22 112.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -107.21 120.02 40.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 72.22 110.879 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -88.72 138.3 31.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.939 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.32 153.29 47.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.22 111.096 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -108.33 105.37 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.934 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.68 79.35 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 74.42 110.783 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.08 -24.47 54.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.904 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.49 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.05 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 p -129.44 14.34 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 70.21 111.128 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt 51.65 48.78 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 73.55 110.869 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 m -138.98 147.68 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.53 111.147 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -93.65 114.32 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.53 113.7 25.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.138 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.31 102.79 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.54 111.147 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.6 m -104.96 101.94 11.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 72.51 111.136 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.1 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.368 . . . . 74.22 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -108.71 123.87 49.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.264 -0.425 . . . . 63.31 111.144 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -131.75 164.43 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.12 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -123.26 158.53 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.15 111.0 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 73.13 111.087 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 tp -103.97 139.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.13 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.5 mm -107.84 135.86 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.32 111.106 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -127.4 101.03 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.27 171.16 21.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 71.24 112.528 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -90.9 -45.62 8.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 75.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -65.88 -52.37 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -162.54 139.88 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.48 174.57 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.876 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.93 -153.63 6.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 72.31 112.432 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -171.28 144.53 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 74.53 110.878 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -157.29 169.1 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 72.14 111.101 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -127.87 146.92 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 70.23 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.24 138.19 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 75.13 111.132 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -127.43 115.37 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.844 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.96 146.08 42.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 70.43 111.142 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -60.19 -28.5 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.23 111.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.23 153.4 49.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 73.3 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -26.28 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 73.22 111.108 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.22 -35.7 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 53.41 111.088 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.0 m -55.94 -36.76 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.41 111.129 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -26.65 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.02 111.045 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.57 -44.91 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 72.31 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -60.59 -26.98 67.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.933 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.5 t -71.75 -38.3 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.162 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -63.6 -26.48 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.918 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -63.08 -56.74 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -58.57 -26.33 63.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.957 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -83.25 -27.07 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.904 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -53.13 -34.75 58.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -82.96 -30.55 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.51 110.946 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -55.04 -45.28 75.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 72.53 110.897 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -102.37 -20.93 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 70.12 110.912 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.2 24.39 63.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 73.32 112.457 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.63 156.46 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 75.43 110.921 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.84 35.63 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.845 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.29 154.23 47.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 73.22 112.543 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -107.83 115.15 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 72.22 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -79.53 143.65 34.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.27 167.99 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.125 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -119.83 115.83 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.905 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -105.21 83.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 74.42 110.848 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.5 -24.95 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.73 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.25 111.044 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 p -132.0 14.12 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 70.21 111.083 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.57 50.17 19.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 73.55 110.938 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.1 m -137.35 149.11 46.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 73.53 111.11 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.58 115.02 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 74.22 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.46 122.85 37.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 73.15 111.142 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.35 102.63 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.088 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -103.2 104.34 14.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 72.51 111.109 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 71.1 110.956 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.854 0.359 . . . . 74.22 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.3 m -104.3 117.48 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -133.21 167.62 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.879 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -134.58 159.29 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 74.22 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.51 123.85 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.13 111.087 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tp -116.93 139.49 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.106 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -106.37 135.4 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -115.71 76.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.888 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.65 161.64 12.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 71.24 112.465 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -91.89 -28.51 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 75.31 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -107.37 -43.11 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.42 111.109 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.72 111.99 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.89 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -127.84 133.8 49.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.884 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.41 -161.15 9.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 72.31 112.525 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.75 117.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 74.53 110.888 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -132.04 169.39 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.14 111.136 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -111.43 166.98 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 70.23 111.128 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.25 119.45 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 75.13 111.161 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.52 104.83 11.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.891 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.48 166.82 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 70.43 111.079 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.15 -51.0 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.23 111.18 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.13 -177.35 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.861 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.12 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.07 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.31 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.41 111.107 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -57.36 -42.15 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 73.41 111.153 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.41 -25.24 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 74.02 111.114 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.904 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -54.09 -36.86 63.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.938 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.47 -28.59 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.1 111.159 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.27 -45.33 63.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -27.32 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 75.31 110.884 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.57 -34.43 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.26 -26.44 30.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 75.03 110.933 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.873 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -82.66 -30.73 29.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 71.51 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.29 -40.84 62.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 72.53 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -100.64 -20.92 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.12 110.878 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 38.74 94.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 73.32 112.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.91 155.95 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 75.43 110.921 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -107.8 67.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.04 158.83 20.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 73.22 112.453 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -113.19 125.38 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 72.22 110.901 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.38 148.13 22.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -143.66 129.96 19.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 73.22 111.129 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -85.29 110.4 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 64.41 110.952 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.56 76.56 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.42 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.93 -24.52 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -36.38 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.071 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -131.97 17.11 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 70.21 111.146 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 51.64 48.07 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.55 110.86 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -135.52 149.0 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 73.53 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -101.89 113.93 27.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 74.22 110.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -94.52 134.1 37.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.158 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.6 t -115.3 102.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.54 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -104.86 103.23 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.51 111.147 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.901 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 74.22 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -104.57 133.82 48.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 63.31 111.138 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -138.62 170.3 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -138.14 150.19 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.07 134.01 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.089 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -116.02 139.09 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.13 111.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -109.33 127.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.145 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -89.76 157.28 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.11 110.804 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.03 116.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 71.24 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -39.82 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 75.31 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -69.99 -36.52 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.173 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -164.43 145.38 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -120.02 164.0 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.9 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.81 153.35 23.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 72.31 112.495 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -138.17 115.31 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 74.53 110.893 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 p -139.85 151.72 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 72.14 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 162.19 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 70.23 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 75.13 111.111 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -119.54 119.22 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.33 110.903 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.73 146.41 20.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 70.43 111.08 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.83 -26.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.122 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.16 157.85 27.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.37 -36.96 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.22 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.37 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.41 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.4 m -57.2 -48.32 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 73.41 111.152 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -25.21 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 74.02 111.136 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.53 -47.69 80.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.31 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -55.51 -34.82 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.899 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -53.52 -39.88 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 72.1 111.155 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -85.03 -28.36 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.857 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -54.03 -30.18 46.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.845 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.18 -26.36 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -74.15 -26.46 60.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 75.03 110.94 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.76 -40.31 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.89 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.59 -27.67 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 71.51 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.48 -43.93 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.53 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -96.82 -20.93 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 70.12 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.03 27.03 72.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.834 -0.698 . . . . 73.32 112.431 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 129.9 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.331 . . . . 75.43 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -100.53 69.21 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.89 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 168.02 51.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 73.22 112.507 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -99.47 110.77 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 72.22 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -82.98 141.79 31.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.2 156.9 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 73.22 111.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.52 102.0 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.893 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.66 75.21 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 74.42 110.843 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.98 -24.43 53.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.833 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.11 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.25 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.2 p -131.34 16.25 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 70.21 111.119 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 51.58 51.58 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.55 110.954 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.7 m -140.28 146.9 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.53 111.133 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -97.91 115.09 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -94.45 118.26 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.15 111.128 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.49 115.65 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 74.54 111.127 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.72 102.7 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 72.51 111.112 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 71.1 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 74.22 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -94.3 108.99 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 63.31 111.081 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -106.82 167.74 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -124.41 148.22 47.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.887 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.68 125.41 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.13 111.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -120.15 139.05 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.13 111.146 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mm -113.43 129.62 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.149 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.44 88.28 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.837 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.25 154.37 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 71.24 112.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -50.88 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 75.31 110.918 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -108.7 -47.57 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.42 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -127.5 131.55 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.907 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.78 172.62 12.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 74.53 110.935 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.71 3.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 72.31 112.449 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -167.74 134.93 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.022 0.439 . . . . 74.53 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -126.12 168.91 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 72.14 111.115 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -120.44 147.46 45.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 70.23 111.074 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -125.02 130.04 51.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.13 111.157 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.64 109.45 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 75.33 110.908 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.43 162.25 41.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 70.43 111.058 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.93 -52.41 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 73.23 111.14 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -123.07 160.96 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.886 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.21 79.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 73.22 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.75 -37.35 50.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.41 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 m -55.28 -32.13 62.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 73.41 111.156 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.18 -30.07 43.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.02 111.089 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -54.34 29.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 72.31 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -52.86 -29.15 26.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.9 t -81.82 -42.14 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.1 111.129 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.79 -54.1 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -31.23 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.95 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -66.07 -44.78 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.11 -26.65 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.95 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.03 -35.31 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 75.41 110.855 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.41 -48.64 10.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.41 -45.85 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.93 -20.92 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 70.12 110.901 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.35 20.56 61.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.772 . . . . 73.32 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.04 131.89 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 75.43 110.948 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.34 83.09 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.869 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.01 161.72 23.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 73.22 112.462 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.08 124.44 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 72.22 110.881 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -94.82 149.12 21.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.7 p -149.4 135.66 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 73.22 111.145 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -86.12 129.51 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 64.41 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.69 80.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.32 -22.72 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.03 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.53 -32.54 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.25 111.135 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -134.9 15.86 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 51.62 48.07 23.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.55 110.92 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 m -142.33 148.49 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.53 111.177 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.18 117.85 31.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 m -94.8 135.16 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.15 111.197 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.9 t -119.57 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 74.54 111.174 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.13 102.37 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.51 111.17 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.1 110.858 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 74.22 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.2 m -90.84 125.19 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 63.31 111.1 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -123.0 155.63 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.867 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -120.68 155.35 34.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.91 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.41 120.51 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.144 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -114.9 136.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 75.13 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -114.76 138.6 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.126 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -107.75 76.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.836 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -173.4 3.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 71.24 112.411 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -93.05 -46.13 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 75.31 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -122.77 -43.89 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 75.42 111.174 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.26 109.19 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.952 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.53 110.968 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.49 -179.37 16.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 72.31 112.46 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -164.18 146.92 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 74.53 110.896 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -150.63 163.72 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.14 111.167 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -114.5 157.72 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 70.23 111.103 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.63 136.54 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 75.13 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -129.15 113.02 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.66 179.5 6.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 70.43 111.088 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.2 -48.04 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.23 111.181 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.0 162.82 25.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.894 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.7 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 73.22 111.096 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.38 83.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 53.41 111.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 m -57.97 -35.55 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.155 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.69 40.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.02 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.36 -35.84 58.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.31 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -29.3 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.853 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.39 -44.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 72.1 111.145 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -53.71 -29.15 37.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.943 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -41.47 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 75.31 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -78.94 -29.15 43.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.36 -26.88 65.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 75.03 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -53.65 -35.82 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.826 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -83.59 -40.84 18.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.884 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.9 -20.94 16.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 70.12 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.56 20.38 61.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 73.32 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.6 mt -122.26 163.92 18.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 75.43 110.947 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -121.26 45.07 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.874 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.93 160.94 29.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.755 . . . . 73.22 112.5 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -100.43 121.49 41.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 72.22 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -90.86 149.61 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 74.11 110.945 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 p -149.81 136.52 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.22 111.155 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -86.26 129.34 34.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 64.41 110.887 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.33 79.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.839 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.11 -24.3 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.64 -36.21 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.133 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.7 p -132.37 15.25 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 70.21 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 51.64 49.51 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.55 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.3 m -140.49 149.02 41.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 73.53 111.135 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -96.95 116.3 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -94.46 133.29 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.185 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.8 t -116.7 102.77 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.17 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.7 m -106.1 101.88 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 71.1 110.883 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 74.22 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.1 m -108.91 118.92 38.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 63.31 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.47 170.91 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.7 149.84 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 74.22 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.54 128.69 46.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.13 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 tp -125.75 142.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.13 111.213 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 mm -111.55 133.9 55.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.32 111.146 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -115.95 76.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.11 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.35 174.23 32.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 71.24 112.47 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -26.95 15.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.381 . . . . 75.31 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -132.26 -47.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.42 111.166 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -108.89 103.85 12.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.926 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.21 173.58 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.903 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.84 -157.63 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 72.31 112.459 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.5 135.06 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 74.53 110.909 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -135.14 -177.22 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 72.14 111.213 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.18 158.17 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 70.23 111.157 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.9 114.34 16.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.134 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -128.37 103.8 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.906 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.08 179.82 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 70.43 111.11 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -81.19 -47.74 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 73.23 111.183 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -127.79 161.96 27.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.899 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.57 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.22 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.47 76.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 53.41 111.067 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -56.54 -33.22 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.171 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -25.79 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 74.02 111.076 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -75.76 -45.87 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -57.51 -25.97 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.19 -28.59 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 72.1 111.079 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.11 -47.73 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 71.33 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -55.3 -28.15 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -79.02 -34.39 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.948 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -33.12 69.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.941 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -53.88 -43.42 69.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.521 . . . . 75.41 110.923 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.42 -27.98 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 71.51 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.43 -47.23 73.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -20.94 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 70.12 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.78 19.93 77.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 73.32 112.514 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.91 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 75.43 110.932 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -126.03 94.6 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.839 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.32 152.74 22.08 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 73.22 112.522 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.09 119.15 35.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 72.22 110.927 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -92.21 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.11 110.925 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.09 169.79 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.411 . . . . 73.22 111.153 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -119.2 115.54 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 64.41 110.959 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -102.21 80.61 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.932 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.62 -24.84 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.03 110.792 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.67 46.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.118 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.2 p -129.91 14.17 5.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.101 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 51.68 53.37 12.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 73.55 110.857 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.1 m -144.56 148.91 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.211 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -94.61 114.44 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.429 . . . . 74.22 110.855 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 t -94.53 132.83 38.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 73.15 111.165 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.62 102.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 74.54 111.111 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -110.04 101.87 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.51 111.144 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.92 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.893 0.378 . . . . 74.22 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.4 m -112.68 126.21 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.179 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -145.12 161.73 38.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.816 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.97 159.7 35.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.8 94.66 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.13 111.133 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.22 139.31 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 75.13 111.182 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 132.84 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.122 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -105.48 82.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.887 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.56 172.91 50.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 71.24 112.499 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -53.0 -55.79 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 75.31 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -124.59 -37.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 75.42 111.174 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.19 120.42 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.963 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -85.51 126.48 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.892 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.05 155.28 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 72.31 112.421 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -153.53 132.92 12.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 74.53 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.26 164.79 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 72.14 111.125 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -117.05 146.74 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.23 111.092 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.07 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 75.13 111.159 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -128.02 103.05 7.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.851 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.37 158.46 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 70.43 111.136 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.45 -26.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 73.23 111.187 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.81 161.48 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.43 -28.34 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.084 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.87 -43.84 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 53.41 111.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.2 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.41 111.099 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.08 -26.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.02 111.09 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -76.12 -29.63 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 72.31 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.78 -27.23 68.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.79 -40.84 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 72.1 111.12 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.02 -31.19 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -60.23 -50.11 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 75.31 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -72.22 -26.49 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.954 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.98 -39.45 75.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.882 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.84 -42.23 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 75.41 110.825 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.42 -26.98 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 71.51 110.947 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.97 -45.23 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 72.53 110.862 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -105.89 -20.83 13.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 70.12 110.938 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.26 20.73 71.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 73.32 112.454 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.98 160.04 15.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 75.43 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -96.44 61.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.811 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.12 144.22 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 73.22 112.453 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -98.8 113.2 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 72.22 110.906 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.35 151.68 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 167.78 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 73.22 111.088 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -114.65 117.79 31.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.78 79.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 74.42 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -57.93 -23.22 52.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.853 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -32.87 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.25 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -133.8 14.64 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 70.21 111.133 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 51.55 50.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.55 110.925 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -145.49 147.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.53 111.11 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -91.87 118.83 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.59 128.96 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.15 111.117 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.01 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 74.54 111.077 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -114.37 103.15 10.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 72.51 111.097 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 71.1 110.918 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 74.22 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -104.72 117.39 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 63.31 111.104 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -139.72 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.907 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -136.8 156.25 48.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.8 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 73.13 111.112 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 tp -111.43 133.89 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.155 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.06 135.11 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.32 111.154 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.88 96.64 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 74.11 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.01 135.43 5.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 71.24 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -73.91 -36.12 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 75.31 110.845 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 m -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 75.42 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 tp -154.87 134.13 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.01 136.04 45.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.923 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.58 -159.4 8.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 72.31 112.544 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -169.18 121.44 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 74.53 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.88 165.29 27.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.14 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.6 167.97 9.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 70.23 111.103 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -149.43 128.1 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 75.13 111.183 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -121.69 104.04 9.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.906 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.75 151.39 37.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 70.43 111.145 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.31 -27.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 73.23 111.064 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.26 154.6 27.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 73.3 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.78 76.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 73.22 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.97 87.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 53.41 111.105 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -55.35 -33.76 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.41 111.099 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.38 -25.88 38.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.02 111.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -71.81 -46.01 59.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -60.35 -27.6 67.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.25 -42.93 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.1 111.073 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -74.37 -26.52 60.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.36 -33.87 55.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.08 -27.33 39.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 74.42 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.19 -26.38 61.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.871 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -52.35 -37.03 55.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.92 -32.28 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 71.51 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -57.36 -30.82 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 72.53 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -105.45 -20.95 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 70.12 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.1 20.08 62.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.32 112.471 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.4 mt -122.78 168.5 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 75.43 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -58.01 -73.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.881 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.72 105.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 73.22 112.487 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -96.16 122.36 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 72.22 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -93.74 145.31 24.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 74.11 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.86 168.28 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.22 111.203 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -114.6 118.99 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.962 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -111.0 75.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.827 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.74 -25.82 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 73.03 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.45 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.074 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -134.99 13.62 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 70.21 111.201 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 51.77 48.67 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.55 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.9 m -142.27 148.32 37.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.53 111.215 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -98.87 115.81 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.2 t -94.46 131.33 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 73.15 111.155 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.42 108.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -105.95 101.57 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.51 111.1 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.848 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 74.22 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -101.88 114.2 28.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 63.31 111.113 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -117.36 158.49 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -118.85 154.37 33.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.943 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.24 117.59 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.13 111.092 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.76 141.12 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.102 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -105.17 132.9 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.32 111.126 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -106.5 117.78 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.93 157.74 28.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 71.24 112.443 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -95.68 -33.32 12.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 75.31 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -77.85 -40.42 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.106 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 tp -166.51 132.41 2.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -106.5 173.57 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.911 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.99 176.85 25.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 72.31 112.504 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -160.21 117.75 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 74.53 110.906 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.3 167.96 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.14 111.183 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.94 147.0 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 70.23 111.167 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.82 129.98 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 75.13 111.168 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.93 114.74 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 75.33 110.874 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.4 -177.38 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 70.43 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.63 -47.43 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.23 111.147 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -113.93 162.56 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.39 -24.44 64.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 73.22 111.052 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.86 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 53.41 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.9 m -58.1 -42.66 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.41 111.155 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.64 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.02 111.126 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.43 -47.31 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -51.77 -30.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.876 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.0 t -83.61 -30.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.077 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -71.28 -34.28 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.815 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -72.83 -26.03 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -59.92 -29.67 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.03 110.918 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.28 -37.73 62.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 75.41 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -83.57 -26.26 30.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.51 110.911 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.54 -46.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.824 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -92.25 -20.89 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 70.12 110.893 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.88 60.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 73.32 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.7 tp -113.27 153.72 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 75.43 110.904 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -104.24 82.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.852 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.23 159.38 19.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 73.22 112.459 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -104.3 112.31 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 72.22 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -80.93 140.8 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 74.11 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 166.76 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 73.22 111.147 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -118.86 116.05 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 64.41 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.24 83.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 74.42 110.933 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.84 -25.0 55.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 73.03 110.794 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.9 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.422 . . . . 73.25 111.034 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -132.03 13.63 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 70.21 111.132 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 51.62 50.92 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.857 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 m -137.24 147.99 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 73.53 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.19 113.76 26.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 74.22 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.53 117.66 30.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.15 111.107 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.58 102.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 74.54 111.141 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 m -101.18 101.65 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 72.51 111.119 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 71.1 110.906 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 74.22 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -115.01 112.0 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.31 111.115 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.38 170.86 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -118.96 147.79 43.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.903 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 120.42 25.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.13 111.09 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tp -117.15 136.45 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.13 111.068 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mm -110.65 122.45 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 74.32 111.132 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -81.1 110.39 16.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.14 148.08 18.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 71.24 112.569 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -35.65 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 75.31 110.9 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -89.5 -47.55 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.42 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -144.46 115.0 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 132.4 36.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.898 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.39 21.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 72.31 112.507 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -165.69 121.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.922 0.392 . . . . 74.53 110.854 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 p -141.86 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.209 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.8 p -133.59 149.2 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 70.23 111.086 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.17 129.67 42.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.13 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -118.29 115.21 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.923 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.03 162.92 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.43 111.119 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.5 t -70.15 -45.67 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 73.23 111.124 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -112.35 -179.28 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.3 110.845 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -28.19 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 73.22 111.08 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.64 -35.54 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 53.41 111.141 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.0 m -56.93 -36.15 69.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.41 111.134 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.14 -23.46 38.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.02 111.107 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -83.2 -28.29 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.31 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -82.14 -40.05 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.927 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.77 -23.63 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 72.1 111.094 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.35 -22.68 62.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.47 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.838 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -85.88 -29.8 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.7 -28.91 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.49 -35.34 73.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 75.41 110.851 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.62 -26.25 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.887 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.96 -43.7 94.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.908 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.71 -20.96 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.83 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.67 20.99 62.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 73.32 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tp -106.17 153.0 22.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 75.43 110.856 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -116.91 75.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.823 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.7 -179.97 37.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 73.22 112.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -107.21 120.02 40.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 72.22 110.879 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -88.72 138.3 31.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.939 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.32 153.29 47.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.22 111.096 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -108.33 105.37 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.41 110.934 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.68 79.35 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 74.42 110.783 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.08 -24.47 54.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.904 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.49 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.05 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 p -129.44 14.34 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 70.21 111.128 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt 51.65 48.78 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 73.55 110.869 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 m -138.98 147.68 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.53 111.147 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -93.65 114.32 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.53 113.7 25.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.138 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.31 102.79 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.54 111.147 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.6 m -104.96 101.94 11.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 72.51 111.136 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.1 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.368 . . . . 74.22 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -108.71 123.87 49.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.264 -0.425 . . . . 63.31 111.144 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -131.75 164.43 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.12 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -123.26 158.53 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.15 111.0 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 73.13 111.087 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 tp -103.97 139.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.13 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.5 mm -107.84 135.86 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.32 111.106 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -127.4 101.03 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.27 171.16 21.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 71.24 112.528 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -90.9 -45.62 8.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 75.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -65.88 -52.37 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.42 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -162.54 139.88 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.916 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.48 174.57 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.876 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.93 -153.63 6.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 72.31 112.432 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -171.28 144.53 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 74.53 110.878 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -157.29 169.1 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 72.14 111.101 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -127.87 146.92 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 70.23 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.24 138.19 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 75.13 111.132 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -127.43 115.37 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.844 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.96 146.08 42.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 70.43 111.142 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -60.19 -28.5 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.23 111.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.23 153.4 49.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 73.3 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -26.28 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 73.22 111.108 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.22 -35.7 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 53.41 111.088 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.0 m -55.94 -36.76 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.41 111.129 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -26.65 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.02 111.045 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.57 -44.91 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 72.31 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -60.59 -26.98 67.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.933 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.5 t -71.75 -38.3 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.162 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -63.6 -26.48 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 71.33 110.918 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -63.08 -56.74 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -58.57 -26.33 63.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.957 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -83.25 -27.07 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.904 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -53.13 -34.75 58.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -82.96 -30.55 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.51 110.946 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -55.04 -45.28 75.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 72.53 110.897 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -102.37 -20.93 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 70.12 110.912 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.2 24.39 63.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 73.32 112.457 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.63 156.46 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 75.43 110.921 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.84 35.63 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.845 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.29 154.23 47.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 73.22 112.543 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -107.83 115.15 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 72.22 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -79.53 143.65 34.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.27 167.99 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.125 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -119.83 115.83 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.905 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -105.21 83.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 74.42 110.848 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.5 -24.95 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.73 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.25 111.044 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 p -132.0 14.12 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 70.21 111.083 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.57 50.17 19.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 73.55 110.938 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.1 m -137.35 149.11 46.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 73.53 111.11 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.58 115.02 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 74.22 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.46 122.85 37.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 73.15 111.142 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.35 102.63 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.54 111.088 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -103.2 104.34 14.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 72.51 111.109 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 71.1 110.956 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.854 0.359 . . . . 74.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.3 m -104.3 117.48 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 61.450000000000003 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -133.21 167.62 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 71.129999999999995 110.879 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -134.58 159.29 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.51 123.85 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.129999999999995 111.087 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tp -116.93 139.49 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 111.106 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -106.37 135.4 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -115.71 76.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.888 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.65 161.64 12.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 71.239999999999995 112.465 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -91.89 -28.51 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 72.439999999999998 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.586 ' HB ' HD23 ' A' ' 12' ' ' LEU . 3.2 m -107.37 -43.11 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 111.109 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.586 HD23 ' HB ' ' A' ' 11' ' ' THR . 0.2 OUTLIER -118.72 111.99 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -127.84 133.8 49.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.884 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.41 -161.15 9.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 72.310000000000002 112.525 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.75 117.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 72.400000000000006 110.888 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -132.04 169.39 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 111.136 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -111.43 166.98 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.519999999999996 111.128 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.25 119.45 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 54.25 111.161 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.52 104.83 11.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 75.329999999999998 110.891 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.48 166.82 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.079 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.15 -51.0 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.540000000000006 111.18 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.13 -177.35 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.861 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.12 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 54.329999999999998 111.07 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.31 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.409999999999997 111.107 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -57.36 -42.15 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 73.409999999999997 111.153 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.41 -25.24 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 111.114 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.904 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -54.09 -36.86 63.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 110.938 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.47 -28.59 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.099999999999994 111.159 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.27 -45.33 63.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -27.32 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 74.400000000000006 110.884 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.57 -34.43 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.26 -26.44 30.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.120000000000005 110.933 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 75.230000000000004 110.873 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -82.66 -30.73 29.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 53.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.29 -40.84 62.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 72.530000000000001 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -100.64 -20.92 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.120000000000005 110.878 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 38.74 94.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 73.319999999999993 112.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.91 155.95 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.540000000000006 110.921 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -107.8 67.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.04 158.83 20.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 70.310000000000002 112.453 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -113.19 125.38 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 110.901 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.38 148.13 22.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 72.420000000000002 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -143.66 129.96 19.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 73.219999999999999 111.129 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -85.29 110.4 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 60.140000000000001 110.952 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.56 76.56 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.420000000000002 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.93 -24.52 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 60.530000000000001 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -36.38 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.071 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -131.97 17.11 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 63.409999999999997 111.146 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 51.64 48.07 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.549999999999997 110.86 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -135.52 149.0 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 73.530000000000001 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -101.89 113.93 27.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 73.450000000000003 110.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -94.52 134.1 37.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 73.150000000000006 111.158 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.6 t -115.3 102.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 43.229999999999997 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -104.86 103.23 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.147 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.099999999999994 110.901 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 74.219999999999999 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -104.57 133.82 48.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 61.450000000000003 111.138 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -138.62 170.3 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 71.129999999999995 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 51' ' ' THR . 3.9 ptpt -138.14 150.19 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.904 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.07 134.01 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 111.089 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -116.02 139.09 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -109.33 127.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.145 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -89.76 157.28 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.804 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.03 116.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 71.239999999999995 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -39.82 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 72.439999999999998 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -69.99 -36.52 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 111.173 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -164.43 145.38 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -120.02 164.0 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 110.9 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.81 153.35 23.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 72.310000000000002 112.495 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -138.17 115.31 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 72.400000000000006 110.893 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 p -139.85 151.72 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 72.140000000000001 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 162.19 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 64.519999999999996 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.489 HG21 HG21 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 54.25 111.111 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -119.54 119.22 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.329999999999998 110.903 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -156.73 146.41 20.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 61.43 111.08 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.83 -26.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 72.540000000000006 111.122 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.16 157.85 27.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 73.299999999999997 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.37 -36.96 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 54.329999999999998 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.37 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.409999999999997 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.586 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 33.4 m -57.2 -48.32 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.152 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -25.21 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 74.019999999999996 111.136 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.53 -47.69 80.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.310000000000002 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -55.51 -34.82 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.899 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG21 HG21 ' A' ' 18' ' ' THR . 60.5 t -53.52 -39.88 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 111.155 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -85.03 -28.36 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.857 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -54.03 -30.18 46.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.400000000000006 110.845 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.18 -26.36 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -74.15 -26.46 60.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 74.120000000000005 110.94 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.76 -40.31 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 110.89 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.59 -27.67 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 53.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.48 -43.93 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.530000000000001 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -96.82 -20.93 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 70.120000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.03 27.03 72.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.834 -0.698 . . . . 73.319999999999993 112.431 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -113.09 129.9 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.331 . . . . 73.540000000000006 110.925 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.572 ' N ' HD13 ' A' ' 39' ' ' LEU . 5.0 p-10 -100.53 69.21 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 74.430000000000007 110.89 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 168.02 51.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 70.310000000000002 112.507 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -99.47 110.77 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -82.98 141.79 31.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 72.420000000000002 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.2 156.9 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 73.219999999999999 111.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.52 102.0 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 60.140000000000001 110.893 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.66 75.21 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 74.420000000000002 110.843 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.98 -24.43 53.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 60.530000000000001 110.833 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.11 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.25 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.2 p -131.34 16.25 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.409999999999997 111.119 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 51.58 51.58 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.549999999999997 110.954 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 4' ' ' LYS . 58.7 m -140.28 146.9 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.530000000000001 111.133 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -97.91 115.09 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -94.45 118.26 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.128 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.49 115.65 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 43.229999999999997 111.127 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.72 102.7 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.112 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 74.219999999999999 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -94.3 108.99 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 61.450000000000003 111.081 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -106.82 167.74 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -124.41 148.22 47.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 64.340000000000003 110.887 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.68 125.41 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.129999999999995 111.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -120.15 139.05 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 111.146 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mm -113.43 129.62 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 111.149 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.44 88.28 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.109999999999999 110.837 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.25 154.37 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 71.239999999999995 112.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -50.88 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 72.439999999999998 110.918 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -108.7 -47.57 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.420000000000002 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -127.5 131.55 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.25 110.907 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.78 172.62 12.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 74.530000000000001 110.935 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.71 3.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 72.310000000000002 112.449 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -167.74 134.93 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.022 0.439 . . . . 72.400000000000006 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -126.12 168.91 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 72.140000000000001 111.115 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -120.44 147.46 45.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 64.519999999999996 111.074 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -125.02 130.04 51.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 54.25 111.157 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.64 109.45 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 110.908 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.43 162.25 41.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 61.43 111.058 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.93 -52.41 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.14 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -123.07 160.96 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 73.299999999999997 110.886 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.21 79.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 54.329999999999998 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.75 -37.35 50.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.409999999999997 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.483 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 57.0 m -55.28 -32.13 62.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 73.409999999999997 111.156 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.18 -30.07 43.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.019999999999996 111.089 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -54.34 29.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 72.310000000000002 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -52.86 -29.15 26.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 25' ' ' THR . 89.9 t -81.82 -42.14 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.129 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.79 -54.1 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 64.420000000000002 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -31.23 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.95 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -66.07 -44.78 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.140000000000001 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.11 -26.65 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.95 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.03 -35.31 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 75.230000000000004 110.855 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.41 -48.64 10.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 53.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.41 -45.85 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.93 -20.92 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.901 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.35 20.56 61.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.772 . . . . 73.319999999999993 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -74.04 131.89 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 73.540000000000006 110.948 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.3 p30 -98.34 83.09 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.869 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.01 161.72 23.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.462 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.08 124.44 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 72.219999999999999 110.881 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -94.82 149.12 21.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 72.420000000000002 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.7 p -149.4 135.66 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 73.219999999999999 111.145 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -86.12 129.51 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 60.140000000000001 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.69 80.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.32 -22.72 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 60.530000000000001 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.53 -32.54 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.25 111.135 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -134.9 15.86 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 63.409999999999997 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 51.62 48.07 23.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.549999999999997 110.92 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 m -142.33 148.49 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.530000000000001 111.177 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.18 117.85 31.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 m -94.8 135.16 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.150000000000006 111.197 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.9 t -119.57 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 43.229999999999997 111.174 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.13 102.37 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.510000000000005 111.17 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.099999999999994 110.858 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 74.219999999999999 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.2 m -90.84 125.19 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 61.450000000000003 111.1 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -123.0 155.63 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 71.129999999999995 110.867 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HB3' HG23 ' A' ' 51' ' ' THR . 30.4 ttmt -120.68 155.35 34.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 64.340000000000003 110.91 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.41 120.51 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 73.129999999999995 111.144 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -114.9 136.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 75.129999999999995 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -114.76 138.6 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 111.126 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -107.75 76.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.836 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -173.4 3.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 71.239999999999995 112.411 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -93.05 -46.13 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -122.77 -43.89 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 111.174 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.26 109.19 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 71.25 110.952 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.530000000000001 110.968 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.49 -179.37 16.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 72.310000000000002 112.46 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -164.18 146.92 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 72.400000000000006 110.896 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -150.63 163.72 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.140000000000001 111.167 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -114.5 157.72 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 64.519999999999996 111.103 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.63 136.54 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 54.25 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -129.15 113.02 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.66 179.5 6.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 61.43 111.088 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.2 -48.04 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 72.540000000000006 111.181 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.0 162.82 25.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.894 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.7 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 54.329999999999998 111.096 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.38 83.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 53.409999999999997 111.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 m -57.97 -35.55 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 111.155 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.69 40.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.019999999999996 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.36 -35.84 58.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.310000000000002 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -29.3 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.853 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.39 -44.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 72.099999999999994 111.145 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -53.71 -29.15 37.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 64.420000000000002 110.943 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -41.47 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 74.400000000000006 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -78.94 -29.15 43.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.36 -26.88 65.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 74.120000000000005 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -53.65 -35.82 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 75.230000000000004 110.826 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.59 -40.84 18.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 53.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.530000000000001 110.884 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.9 -20.94 16.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 70.120000000000005 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.56 20.38 61.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 73.319999999999993 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.6 mt -122.26 163.92 18.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 73.540000000000006 110.947 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -121.26 45.07 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.874 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.93 160.94 29.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.755 . . . . 70.310000000000002 112.5 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -100.43 121.49 41.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 72.219999999999999 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -90.86 149.61 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 72.420000000000002 110.945 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 p -149.81 136.52 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.155 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -86.26 129.34 34.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.887 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.33 79.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 110.839 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.11 -24.3 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.530000000000001 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.64 -36.21 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.133 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.7 p -132.37 15.25 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 63.409999999999997 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 51.64 49.51 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.549999999999997 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.451 HG23 ' HB3' ' A' ' 4' ' ' LYS . 27.3 m -140.49 149.02 41.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 73.530000000000001 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -96.95 116.3 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.450000000000003 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -94.46 133.29 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.185 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.8 t -116.7 102.77 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 43.229999999999997 111.17 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.7 m -106.1 101.88 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 72.510000000000005 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 71.099999999999994 110.883 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.1 m -108.91 118.92 38.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 61.450000000000003 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.47 170.91 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.7 149.84 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 64.340000000000003 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.54 128.69 46.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.129999999999995 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 tp -125.75 142.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.213 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 mm -111.55 133.9 55.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.319999999999993 111.146 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -115.95 76.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.109999999999999 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.35 174.23 32.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.47 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -26.95 15.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.381 . . . . 72.439999999999998 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -132.26 -47.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 111.166 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -108.89 103.85 12.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 71.25 110.926 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.21 173.58 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.903 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.84 -157.63 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 72.310000000000002 112.459 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.5 135.06 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 72.400000000000006 110.909 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -135.14 -177.22 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 72.140000000000001 111.213 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.18 158.17 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 64.519999999999996 111.157 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.9 114.34 16.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.213 -0.449 . . . . 54.25 111.134 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -128.37 103.8 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.906 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -133.08 179.82 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 61.43 111.11 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -81.19 -47.74 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 72.540000000000006 111.183 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -127.79 161.96 27.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.899 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.57 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 54.329999999999998 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.47 76.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 53.409999999999997 111.067 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.451 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 24.9 m -56.54 -33.22 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 111.171 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -25.79 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 74.019999999999996 111.076 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -75.76 -45.87 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.310000000000002 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -57.51 -25.97 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 25' ' ' THR . 74.8 t -83.19 -28.59 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 111.079 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.11 -47.73 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 64.420000000000002 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -55.3 -28.15 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -79.02 -34.39 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.948 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -33.12 69.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.941 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -53.88 -43.42 69.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.521 . . . . 75.230000000000004 110.923 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.42 -27.98 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 53.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.43 -47.23 73.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -20.94 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 70.120000000000005 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.78 19.93 77.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 73.319999999999993 112.514 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 40' ' ' ASP . 3.1 pp -79.91 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 73.540000000000006 110.932 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 4.9 p-10 -126.03 94.6 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 74.430000000000007 110.839 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.32 152.74 22.08 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 70.310000000000002 112.522 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.09 119.15 35.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 72.219999999999999 110.927 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -92.21 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.420000000000002 110.925 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -134.09 169.79 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.411 . . . . 73.219999999999999 111.153 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' H ' HG22 ' A' ' 44' ' ' THR . 13.3 p90 -119.2 115.54 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 60.140000000000001 110.959 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -102.21 80.61 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 110.932 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.62 -24.84 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 60.530000000000001 110.792 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.67 46.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.118 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.2 p -129.91 14.17 5.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 111.101 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 51.68 53.37 12.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.857 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.1 m -144.56 148.91 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.530000000000001 111.211 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -94.61 114.44 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.429 . . . . 73.450000000000003 110.855 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 t -94.53 132.83 38.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 73.150000000000006 111.165 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.62 102.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 43.229999999999997 111.111 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -110.04 101.87 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.510000000000005 111.144 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 71.099999999999994 110.92 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.893 0.378 . . . . 74.219999999999999 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.4 m -112.68 126.21 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 61.450000000000003 111.179 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -145.12 161.73 38.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.816 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.97 159.7 35.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 64.340000000000003 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.8 94.66 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 111.133 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.22 139.31 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 75.129999999999995 111.182 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 132.84 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 111.122 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.446 HD22 HG23 ' A' ' 55' ' ' THR . 54.0 t30 -105.48 82.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.887 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.56 172.91 50.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 71.239999999999995 112.499 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -53.0 -55.79 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 72.439999999999998 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -124.59 -37.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 75.420000000000002 111.174 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.19 120.42 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.25 110.963 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -85.51 126.48 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.892 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.05 155.28 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 72.310000000000002 112.421 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -153.53 132.92 12.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 72.400000000000006 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.26 164.79 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 72.140000000000001 111.125 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -117.05 146.74 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 64.519999999999996 111.092 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.07 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 54.25 111.159 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -128.02 103.05 7.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 110.851 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.37 158.46 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 61.43 111.136 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.45 -26.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 111.187 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.81 161.48 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.299999999999997 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.43 -28.34 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 54.329999999999998 111.084 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.87 -43.84 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 53.409999999999997 111.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.2 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.099 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.08 -26.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.019999999999996 111.09 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -76.12 -29.63 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 72.310000000000002 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.78 -27.23 68.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.79 -40.84 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 111.12 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.02 -31.19 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 64.420000000000002 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -60.23 -50.11 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 74.400000000000006 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -72.22 -26.49 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.954 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.98 -39.45 75.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.882 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.84 -42.23 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.825 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.42 -26.98 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 53.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.97 -45.23 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 72.530000000000001 110.862 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -105.89 -20.83 13.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 70.120000000000005 110.938 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.26 20.73 71.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 73.319999999999993 112.454 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.98 160.04 15.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 73.540000000000006 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -96.44 61.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.811 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.12 144.22 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 70.310000000000002 112.453 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -98.8 113.2 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 72.219999999999999 110.906 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.35 151.68 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 72.420000000000002 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 167.78 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 73.219999999999999 111.088 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -114.65 117.79 31.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 60.140000000000001 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.78 79.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 74.420000000000002 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -57.93 -23.22 52.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 60.530000000000001 110.853 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -32.87 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.25 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -133.8 14.64 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 63.409999999999997 111.133 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 51.55 50.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.549999999999997 110.925 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -145.49 147.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.530000000000001 111.11 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -91.87 118.83 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.59 128.96 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 111.117 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.01 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 43.229999999999997 111.077 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.446 HG23 HD22 ' A' ' 8' ' ' ASN . 2.5 m -114.37 103.15 10.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 72.510000000000005 111.097 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 71.099999999999994 110.918 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 74.219999999999999 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -104.72 117.39 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 61.450000000000003 111.104 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -139.72 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 110.907 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -136.8 156.25 48.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 64.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.8 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 111.112 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 tp -111.43 133.89 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 111.155 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.06 135.11 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 111.154 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.88 96.64 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 74.109999999999999 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.01 135.43 5.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 71.239999999999995 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -73.91 -36.12 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 72.439999999999998 110.845 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 m -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 75.420000000000002 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 tp -154.87 134.13 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.01 136.04 45.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.530000000000001 110.923 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.58 -159.4 8.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 72.310000000000002 112.544 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -169.18 121.44 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 72.400000000000006 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.88 165.29 27.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.140000000000001 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.6 167.97 9.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 64.519999999999996 111.103 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -149.43 128.1 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 54.25 111.183 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -121.69 104.04 9.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.906 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.75 151.39 37.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 61.43 111.145 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.31 -27.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 72.540000000000006 111.064 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.26 154.6 27.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 73.299999999999997 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.78 76.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 54.329999999999998 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.97 87.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 53.409999999999997 111.105 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 29' ' ' VAL . 93.9 m -55.35 -33.76 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.099 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.38 -25.88 38.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.019999999999996 111.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -71.81 -46.01 59.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -60.35 -27.6 67.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 25' ' ' THR . 74.2 t -66.25 -42.93 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.099999999999994 111.073 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -74.37 -26.52 60.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 64.420000000000002 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.36 -33.87 55.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 74.400000000000006 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.08 -27.33 39.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 73.140000000000001 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.19 -26.38 61.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.871 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -52.35 -37.03 55.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.92 -32.28 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 53.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -57.36 -30.82 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -105.45 -20.95 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 70.120000000000005 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.1 20.08 62.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.471 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.4 mt -122.78 168.5 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 73.540000000000006 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -58.01 -73.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.881 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.72 105.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 70.310000000000002 112.487 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -96.16 122.36 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 72.219999999999999 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -93.74 145.31 24.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 72.420000000000002 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.86 168.28 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 111.203 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -114.6 118.99 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 110.962 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -111.0 75.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.827 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.74 -25.82 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 60.530000000000001 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.45 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.074 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -134.99 13.62 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 63.409999999999997 111.201 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 51.77 48.67 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.549999999999997 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.9 m -142.27 148.32 37.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.530000000000001 111.215 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -98.87 115.81 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 73.450000000000003 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.2 t -94.46 131.33 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 73.150000000000006 111.155 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.42 108.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 43.229999999999997 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -105.95 101.57 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.510000000000005 111.1 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 110.848 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 74.219999999999999 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -101.88 114.2 28.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 61.450000000000003 111.113 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -117.36 158.49 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.129999999999995 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -118.85 154.37 33.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 64.340000000000003 110.943 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.24 117.59 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 111.092 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.76 141.12 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.102 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -105.17 132.9 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.319999999999993 111.126 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -106.5 117.78 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.93 157.74 28.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 71.239999999999995 112.443 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -95.68 -33.32 12.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -77.85 -40.42 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.420000000000002 111.106 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 tp -166.51 132.41 2.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 71.25 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -106.5 173.57 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 110.911 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.99 176.85 25.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 72.310000000000002 112.504 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -160.21 117.75 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 72.400000000000006 110.906 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -143.3 167.96 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 111.183 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER -129.94 147.0 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 64.519999999999996 111.167 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.82 129.98 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 54.25 111.168 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.93 114.74 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 110.874 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.4 -177.38 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 61.43 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.63 -47.43 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.540000000000006 111.147 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -113.93 162.56 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.299999999999997 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.39 -24.44 64.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 54.329999999999998 111.052 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.86 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 53.409999999999997 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.9 m -58.1 -42.66 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 111.155 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.64 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 111.126 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.43 -47.31 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.310000000000002 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -51.77 -30.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 110.876 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.0 t -83.61 -30.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 111.077 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -71.28 -34.28 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 64.420000000000002 110.815 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -72.83 -26.03 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -59.92 -29.67 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.918 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.28 -37.73 62.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 75.230000000000004 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -83.57 -26.26 30.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 53.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.54 -46.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.824 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -92.25 -20.89 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 70.120000000000005 110.893 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.88 60.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 73.319999999999993 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 39' ' ' LEU . 11.7 tp -113.27 153.72 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 73.540000000000006 110.904 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -104.24 82.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.852 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.23 159.38 19.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 70.310000000000002 112.459 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -104.3 112.31 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 72.219999999999999 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -80.93 140.8 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 72.420000000000002 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 166.76 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 73.219999999999999 111.147 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -118.86 116.05 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 60.140000000000001 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.24 83.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 110.933 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.84 -25.0 55.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 60.530000000000001 110.794 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.9 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.422 . . . . 73.25 111.034 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -132.03 13.63 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 63.409999999999997 111.132 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 51.62 50.92 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.549999999999997 110.857 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 m -137.24 147.99 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 73.530000000000001 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.19 113.76 26.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.450000000000003 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.53 117.66 30.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 111.107 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.58 102.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 43.229999999999997 111.141 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 m -101.18 101.65 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 72.510000000000005 111.119 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 71.099999999999994 110.906 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 74.219999999999999 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -115.01 112.0 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 61.450000000000003 111.115 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.38 170.86 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HD3' HG22 ' A' ' 17' ' ' THR . 3.7 tppp? -118.96 147.79 43.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.903 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 120.42 25.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 111.09 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tp -117.15 136.45 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.129999999999995 111.068 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mm -110.65 122.45 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.132 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -81.1 110.39 16.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.109999999999999 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.14 148.08 18.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.569 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -35.65 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 72.439999999999998 110.9 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -89.5 -47.55 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -144.46 115.0 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 132.4 36.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 110.898 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.39 21.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.507 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -165.69 121.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.922 0.392 . . . . 72.400000000000006 110.854 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 p -141.86 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 72.140000000000001 111.209 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.617 HG22 ' HD3' ' A' ' 4' ' ' LYS . 79.8 p -133.59 149.2 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 64.519999999999996 111.086 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.17 129.67 42.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -118.29 115.21 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 75.329999999999998 110.923 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -136.03 162.92 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.5 t -70.15 -45.67 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 111.124 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -112.35 -179.28 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.299999999999997 110.845 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -28.19 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 54.329999999999998 111.08 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.64 -35.54 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 53.409999999999997 111.141 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.567 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 58.0 m -56.93 -36.15 69.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.409999999999997 111.134 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.14 -23.46 38.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.019999999999996 111.107 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -83.2 -28.29 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -82.14 -40.05 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.927 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 26' ' ' ALA . 8.5 p -56.77 -23.63 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 72.099999999999994 111.094 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.35 -22.68 62.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 64.420000000000002 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.47 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 110.838 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -85.88 -29.8 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.140000000000001 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.7 -28.91 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.49 -35.34 73.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 75.230000000000004 110.851 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.62 -26.25 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 53.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.96 -43.7 94.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.908 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.71 -20.96 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.120000000000005 110.83 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.67 20.99 62.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 73.319999999999993 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tp -106.17 153.0 22.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 73.540000000000006 110.856 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -116.91 75.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.823 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.7 -179.97 37.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 70.310000000000002 112.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -107.21 120.02 40.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 72.219999999999999 110.879 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -88.72 138.3 31.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.420000000000002 110.939 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.32 153.29 47.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.219999999999999 111.096 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -108.33 105.37 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 60.140000000000001 110.934 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.68 79.35 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 74.420000000000002 110.783 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.08 -24.47 54.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 60.530000000000001 110.904 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.49 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.05 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 p -129.44 14.34 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 63.409999999999997 111.128 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt 51.65 48.78 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 110.869 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 m -138.98 147.68 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.530000000000001 111.147 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -93.65 114.32 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 73.450000000000003 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.53 113.7 25.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 111.138 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.31 102.79 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 43.229999999999997 111.147 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.6 m -104.96 101.94 11.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 72.510000000000005 111.136 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.368 . . . . 74.219999999999999 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -108.71 123.87 49.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.264 -0.425 . . . . 61.450000000000003 111.144 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -131.75 164.43 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HB3' HG23 ' A' ' 51' ' ' THR . 33.0 ttmt -123.26 158.53 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.902 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.15 111.0 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 73.129999999999995 111.087 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 tp -103.97 139.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.5 mm -107.84 135.86 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 111.106 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -127.4 101.03 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.27 171.16 21.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 71.239999999999995 112.528 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -90.9 -45.62 8.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 72.439999999999998 110.89 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -65.88 -52.37 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 12' ' ' LEU . 2.1 pt? -162.54 139.88 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.916 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.48 174.57 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.876 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.93 -153.63 6.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 72.310000000000002 112.432 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -171.28 144.53 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 72.400000000000006 110.878 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -157.29 169.1 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 72.140000000000001 111.101 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -127.87 146.92 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.24 138.19 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 54.25 111.132 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -127.43 115.37 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.329999999999998 110.844 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -137.96 146.08 42.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 61.43 111.142 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -60.19 -28.5 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.540000000000006 111.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.23 153.4 49.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -26.28 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 54.329999999999998 111.108 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.22 -35.7 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 53.409999999999997 111.088 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 29' ' ' VAL . 92.0 m -55.94 -36.76 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.129 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -26.65 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.019999999999996 111.045 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.57 -44.91 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 72.310000000000002 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -60.59 -26.98 67.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.933 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 25' ' ' THR . 65.5 t -71.75 -38.3 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 111.162 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -63.6 -26.48 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 64.420000000000002 110.918 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -63.08 -56.74 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -58.57 -26.33 63.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.957 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -83.25 -27.07 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 110.904 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -53.13 -34.75 58.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.230000000000004 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -82.96 -30.55 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -55.04 -45.28 75.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 72.530000000000001 110.897 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -102.37 -20.93 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 70.120000000000005 110.912 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.2 24.39 63.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 73.319999999999993 112.457 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.63 156.46 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 73.540000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.84 35.63 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.845 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.29 154.23 47.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 70.310000000000002 112.543 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -107.83 115.15 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -79.53 143.65 34.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -135.27 167.99 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.125 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' H ' HG22 ' A' ' 44' ' ' THR . 12.6 p90 -119.83 115.83 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 110.905 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -105.21 83.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 74.420000000000002 110.848 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.5 -24.95 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 60.530000000000001 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.73 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.25 111.044 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 p -132.0 14.12 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 63.409999999999997 111.083 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.57 50.17 19.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 73.549999999999997 110.938 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 4' ' ' LYS . 29.1 m -137.35 149.11 46.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 111.11 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.58 115.02 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 73.450000000000003 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.46 122.85 37.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 73.150000000000006 111.142 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 7' ' ' ILE . 21.8 t -102.35 102.63 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 43.229999999999997 111.088 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -103.2 104.34 14.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 72.510000000000005 111.109 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 71.099999999999994 110.956 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.854 0.359 . . . . 74.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.3 m -104.3 117.48 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 61.450000000000003 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -133.21 167.62 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 71.129999999999995 110.879 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -134.58 159.29 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.51 123.85 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.129999999999995 111.087 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tp -116.93 139.49 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 111.106 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -106.37 135.4 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -115.71 76.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.888 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.65 161.64 12.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 71.239999999999995 112.465 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -91.89 -28.51 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 72.439999999999998 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.586 ' HB ' HD23 ' A' ' 12' ' ' LEU . 3.2 m -107.37 -43.11 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 111.109 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.586 HD23 ' HB ' ' A' ' 11' ' ' THR . 0.2 OUTLIER -118.72 111.99 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -127.84 133.8 49.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.884 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.41 -161.15 9.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 72.310000000000002 112.525 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.75 117.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 72.400000000000006 110.888 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -132.04 169.39 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 111.136 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -111.43 166.98 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.519999999999996 111.128 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.25 119.45 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 54.25 111.161 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.52 104.83 11.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 75.329999999999998 110.891 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.48 166.82 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.079 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.15 -51.0 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.540000000000006 111.18 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.13 -177.35 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.861 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.12 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 54.329999999999998 111.07 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.31 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.409999999999997 111.107 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -57.36 -42.15 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 73.409999999999997 111.153 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.41 -25.24 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 111.114 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.904 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -54.09 -36.86 63.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 110.938 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.47 -28.59 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.099999999999994 111.159 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.27 -45.33 63.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -27.32 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 74.400000000000006 110.884 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.57 -34.43 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.26 -26.44 30.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.120000000000005 110.933 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 75.230000000000004 110.873 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -82.66 -30.73 29.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 53.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.29 -40.84 62.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 72.530000000000001 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -100.64 -20.92 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.120000000000005 110.878 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 38.74 94.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 73.319999999999993 112.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.91 155.95 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.540000000000006 110.921 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -107.8 67.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.04 158.83 20.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 70.310000000000002 112.453 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -113.19 125.38 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 110.901 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.38 148.13 22.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 72.420000000000002 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -143.66 129.96 19.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 73.219999999999999 111.129 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -85.29 110.4 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 60.140000000000001 110.952 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.56 76.56 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.420000000000002 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.93 -24.52 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 60.530000000000001 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -36.38 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.071 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -131.97 17.11 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 63.409999999999997 111.146 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 51.64 48.07 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.549999999999997 110.86 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -135.52 149.0 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 73.530000000000001 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -101.89 113.93 27.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 73.450000000000003 110.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -94.52 134.1 37.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 73.150000000000006 111.158 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.6 t -115.3 102.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 43.229999999999997 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -104.86 103.23 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.147 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.099999999999994 110.901 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 74.219999999999999 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -104.57 133.82 48.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 61.450000000000003 111.138 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -138.62 170.3 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 71.129999999999995 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 51' ' ' THR . 3.9 ptpt -138.14 150.19 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.904 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.07 134.01 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 111.089 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -116.02 139.09 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -109.33 127.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.145 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -89.76 157.28 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.804 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.03 116.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 71.239999999999995 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -39.82 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 72.439999999999998 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -69.99 -36.52 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 111.173 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -164.43 145.38 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -120.02 164.0 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 110.9 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.81 153.35 23.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 72.310000000000002 112.495 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -138.17 115.31 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 72.400000000000006 110.893 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 p -139.85 151.72 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 72.140000000000001 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 162.19 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 64.519999999999996 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.489 HG21 HG21 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 54.25 111.111 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -119.54 119.22 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.329999999999998 110.903 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -156.73 146.41 20.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 61.43 111.08 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.83 -26.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 72.540000000000006 111.122 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.16 157.85 27.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 73.299999999999997 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.37 -36.96 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 54.329999999999998 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.37 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.409999999999997 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.586 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 33.4 m -57.2 -48.32 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.152 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -25.21 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 74.019999999999996 111.136 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.53 -47.69 80.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.310000000000002 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -55.51 -34.82 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.899 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG21 HG21 ' A' ' 18' ' ' THR . 60.5 t -53.52 -39.88 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 111.155 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -85.03 -28.36 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.857 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -54.03 -30.18 46.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.400000000000006 110.845 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.18 -26.36 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -74.15 -26.46 60.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 74.120000000000005 110.94 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.76 -40.31 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 110.89 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.59 -27.67 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 53.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.48 -43.93 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.530000000000001 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -96.82 -20.93 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 70.120000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.03 27.03 72.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.834 -0.698 . . . . 73.319999999999993 112.431 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -113.09 129.9 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.331 . . . . 73.540000000000006 110.925 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.572 ' N ' HD13 ' A' ' 39' ' ' LEU . 5.0 p-10 -100.53 69.21 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 74.430000000000007 110.89 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 168.02 51.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 70.310000000000002 112.507 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -99.47 110.77 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -82.98 141.79 31.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 72.420000000000002 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.2 156.9 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 73.219999999999999 111.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.52 102.0 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 60.140000000000001 110.893 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.66 75.21 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 74.420000000000002 110.843 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.98 -24.43 53.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 60.530000000000001 110.833 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.11 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.25 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.2 p -131.34 16.25 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.409999999999997 111.119 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 51.58 51.58 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.549999999999997 110.954 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 4' ' ' LYS . 58.7 m -140.28 146.9 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.530000000000001 111.133 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -97.91 115.09 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -94.45 118.26 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.128 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.49 115.65 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 43.229999999999997 111.127 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.72 102.7 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.112 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 74.219999999999999 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -94.3 108.99 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 61.450000000000003 111.081 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -106.82 167.74 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -124.41 148.22 47.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 64.340000000000003 110.887 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.68 125.41 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.129999999999995 111.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -120.15 139.05 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 111.146 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mm -113.43 129.62 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 111.149 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.44 88.28 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.109999999999999 110.837 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.25 154.37 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 71.239999999999995 112.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -50.88 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 72.439999999999998 110.918 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -108.7 -47.57 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.420000000000002 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -127.5 131.55 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.25 110.907 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.78 172.62 12.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 74.530000000000001 110.935 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.71 3.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 72.310000000000002 112.449 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -167.74 134.93 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.022 0.439 . . . . 72.400000000000006 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -126.12 168.91 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 72.140000000000001 111.115 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -120.44 147.46 45.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 64.519999999999996 111.074 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -125.02 130.04 51.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 54.25 111.157 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.64 109.45 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 110.908 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.43 162.25 41.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 61.43 111.058 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.93 -52.41 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.14 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -123.07 160.96 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 73.299999999999997 110.886 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.21 79.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 54.329999999999998 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.75 -37.35 50.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.409999999999997 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.483 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 57.0 m -55.28 -32.13 62.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 73.409999999999997 111.156 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.18 -30.07 43.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.019999999999996 111.089 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -54.34 29.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 72.310000000000002 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -52.86 -29.15 26.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 25' ' ' THR . 89.9 t -81.82 -42.14 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.129 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.79 -54.1 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 64.420000000000002 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -31.23 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.95 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -66.07 -44.78 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.140000000000001 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.11 -26.65 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.95 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.03 -35.31 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 75.230000000000004 110.855 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.41 -48.64 10.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 53.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.41 -45.85 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.93 -20.92 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.901 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.35 20.56 61.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.772 . . . . 73.319999999999993 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -74.04 131.89 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 73.540000000000006 110.948 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.3 p30 -98.34 83.09 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.869 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.01 161.72 23.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.462 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.08 124.44 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 72.219999999999999 110.881 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -94.82 149.12 21.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 72.420000000000002 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.7 p -149.4 135.66 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 73.219999999999999 111.145 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -86.12 129.51 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 60.140000000000001 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.69 80.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.32 -22.72 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 60.530000000000001 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.53 -32.54 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.25 111.135 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -134.9 15.86 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 63.409999999999997 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 51.62 48.07 23.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.549999999999997 110.92 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 m -142.33 148.49 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.530000000000001 111.177 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.18 117.85 31.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 m -94.8 135.16 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.150000000000006 111.197 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.9 t -119.57 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 43.229999999999997 111.174 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.13 102.37 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.510000000000005 111.17 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.099999999999994 110.858 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 74.219999999999999 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.2 m -90.84 125.19 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 61.450000000000003 111.1 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -123.0 155.63 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 71.129999999999995 110.867 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HB3' HG23 ' A' ' 51' ' ' THR . 30.4 ttmt -120.68 155.35 34.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 64.340000000000003 110.91 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.41 120.51 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 73.129999999999995 111.144 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -114.9 136.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 75.129999999999995 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -114.76 138.6 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 111.126 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -107.75 76.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.836 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -173.4 3.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 71.239999999999995 112.411 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -93.05 -46.13 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -122.77 -43.89 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 111.174 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.26 109.19 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 71.25 110.952 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.530000000000001 110.968 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.49 -179.37 16.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 72.310000000000002 112.46 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -164.18 146.92 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 72.400000000000006 110.896 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -150.63 163.72 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.140000000000001 111.167 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -114.5 157.72 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 64.519999999999996 111.103 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.63 136.54 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 54.25 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -129.15 113.02 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.66 179.5 6.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 61.43 111.088 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.2 -48.04 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 72.540000000000006 111.181 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.0 162.82 25.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.894 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.7 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 54.329999999999998 111.096 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.38 83.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 53.409999999999997 111.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 m -57.97 -35.55 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 111.155 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.69 40.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.019999999999996 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.36 -35.84 58.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.310000000000002 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -29.3 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.853 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.39 -44.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 72.099999999999994 111.145 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -53.71 -29.15 37.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 64.420000000000002 110.943 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -41.47 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 74.400000000000006 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -78.94 -29.15 43.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.36 -26.88 65.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 74.120000000000005 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -53.65 -35.82 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 75.230000000000004 110.826 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.59 -40.84 18.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 53.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.530000000000001 110.884 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.9 -20.94 16.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 70.120000000000005 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.56 20.38 61.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 73.319999999999993 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.6 mt -122.26 163.92 18.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 73.540000000000006 110.947 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -121.26 45.07 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.874 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.93 160.94 29.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.755 . . . . 70.310000000000002 112.5 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -100.43 121.49 41.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 72.219999999999999 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -90.86 149.61 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 72.420000000000002 110.945 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 p -149.81 136.52 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.155 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -86.26 129.34 34.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.887 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.33 79.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 110.839 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.11 -24.3 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.530000000000001 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.64 -36.21 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.133 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.7 p -132.37 15.25 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 63.409999999999997 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 51.64 49.51 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.549999999999997 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.451 HG23 ' HB3' ' A' ' 4' ' ' LYS . 27.3 m -140.49 149.02 41.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 73.530000000000001 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -96.95 116.3 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.450000000000003 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -94.46 133.29 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.185 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.8 t -116.7 102.77 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 43.229999999999997 111.17 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.7 m -106.1 101.88 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 72.510000000000005 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 71.099999999999994 110.883 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.1 m -108.91 118.92 38.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 61.450000000000003 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.47 170.91 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.7 149.84 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 64.340000000000003 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.54 128.69 46.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.129999999999995 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 tp -125.75 142.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.213 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 mm -111.55 133.9 55.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.319999999999993 111.146 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -115.95 76.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.109999999999999 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.35 174.23 32.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.47 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -26.95 15.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.381 . . . . 72.439999999999998 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -132.26 -47.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 111.166 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -108.89 103.85 12.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 71.25 110.926 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.21 173.58 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.903 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.84 -157.63 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 72.310000000000002 112.459 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.5 135.06 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 72.400000000000006 110.909 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -135.14 -177.22 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 72.140000000000001 111.213 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.18 158.17 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 64.519999999999996 111.157 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.9 114.34 16.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.213 -0.449 . . . . 54.25 111.134 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -128.37 103.8 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.906 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -133.08 179.82 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 61.43 111.11 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -81.19 -47.74 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 72.540000000000006 111.183 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -127.79 161.96 27.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.899 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.57 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 54.329999999999998 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.47 76.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 53.409999999999997 111.067 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.451 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 24.9 m -56.54 -33.22 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 111.171 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -25.79 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 74.019999999999996 111.076 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -75.76 -45.87 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.310000000000002 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -57.51 -25.97 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 25' ' ' THR . 74.8 t -83.19 -28.59 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 111.079 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.11 -47.73 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 64.420000000000002 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -55.3 -28.15 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -79.02 -34.39 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.948 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -33.12 69.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.941 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -53.88 -43.42 69.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.521 . . . . 75.230000000000004 110.923 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.42 -27.98 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 53.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.43 -47.23 73.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -20.94 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 70.120000000000005 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.78 19.93 77.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 73.319999999999993 112.514 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 40' ' ' ASP . 3.1 pp -79.91 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 73.540000000000006 110.932 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 4.9 p-10 -126.03 94.6 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 74.430000000000007 110.839 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.32 152.74 22.08 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 70.310000000000002 112.522 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.09 119.15 35.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 72.219999999999999 110.927 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -92.21 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.420000000000002 110.925 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -134.09 169.79 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.411 . . . . 73.219999999999999 111.153 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' H ' HG22 ' A' ' 44' ' ' THR . 13.3 p90 -119.2 115.54 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 60.140000000000001 110.959 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -102.21 80.61 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 110.932 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.62 -24.84 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 60.530000000000001 110.792 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.67 46.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.118 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.2 p -129.91 14.17 5.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 111.101 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 51.68 53.37 12.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.857 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.1 m -144.56 148.91 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.530000000000001 111.211 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -94.61 114.44 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.429 . . . . 73.450000000000003 110.855 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 t -94.53 132.83 38.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 73.150000000000006 111.165 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.62 102.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 43.229999999999997 111.111 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -110.04 101.87 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.510000000000005 111.144 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 71.099999999999994 110.92 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.893 0.378 . . . . 74.219999999999999 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.4 m -112.68 126.21 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 61.450000000000003 111.179 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -145.12 161.73 38.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.816 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.97 159.7 35.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 64.340000000000003 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.8 94.66 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 111.133 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.22 139.31 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 75.129999999999995 111.182 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 132.84 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 111.122 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.446 HD22 HG23 ' A' ' 55' ' ' THR . 54.0 t30 -105.48 82.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.887 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.56 172.91 50.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 71.239999999999995 112.499 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -53.0 -55.79 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 72.439999999999998 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -124.59 -37.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 75.420000000000002 111.174 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.19 120.42 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.25 110.963 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -85.51 126.48 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.892 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.05 155.28 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 72.310000000000002 112.421 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -153.53 132.92 12.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 72.400000000000006 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.26 164.79 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 72.140000000000001 111.125 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -117.05 146.74 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 64.519999999999996 111.092 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.07 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 54.25 111.159 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -128.02 103.05 7.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 110.851 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.37 158.46 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 61.43 111.136 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.45 -26.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 111.187 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.81 161.48 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.299999999999997 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.43 -28.34 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 54.329999999999998 111.084 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.87 -43.84 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 53.409999999999997 111.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.2 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.099 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.08 -26.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.019999999999996 111.09 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -76.12 -29.63 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 72.310000000000002 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.78 -27.23 68.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.79 -40.84 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 111.12 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.02 -31.19 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 64.420000000000002 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -60.23 -50.11 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 74.400000000000006 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -72.22 -26.49 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.954 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.98 -39.45 75.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.882 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.84 -42.23 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.825 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.42 -26.98 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 53.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.97 -45.23 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 72.530000000000001 110.862 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -105.89 -20.83 13.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 70.120000000000005 110.938 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.26 20.73 71.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 73.319999999999993 112.454 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.98 160.04 15.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 73.540000000000006 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -96.44 61.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.811 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.12 144.22 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 70.310000000000002 112.453 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -98.8 113.2 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 72.219999999999999 110.906 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.35 151.68 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 72.420000000000002 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 167.78 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 73.219999999999999 111.088 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -114.65 117.79 31.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 60.140000000000001 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.78 79.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 74.420000000000002 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -57.93 -23.22 52.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 60.530000000000001 110.853 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -32.87 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.25 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -133.8 14.64 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 63.409999999999997 111.133 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 51.55 50.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.549999999999997 110.925 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -145.49 147.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.530000000000001 111.11 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -91.87 118.83 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.59 128.96 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 111.117 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.01 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 43.229999999999997 111.077 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.446 HG23 HD22 ' A' ' 8' ' ' ASN . 2.5 m -114.37 103.15 10.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 72.510000000000005 111.097 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 71.099999999999994 110.918 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 74.219999999999999 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -104.72 117.39 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 61.450000000000003 111.104 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -139.72 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 110.907 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -136.8 156.25 48.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 64.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.8 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 111.112 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 tp -111.43 133.89 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 111.155 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.06 135.11 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 111.154 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.88 96.64 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 74.109999999999999 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.01 135.43 5.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 71.239999999999995 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -73.91 -36.12 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 72.439999999999998 110.845 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 m -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 75.420000000000002 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 tp -154.87 134.13 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.01 136.04 45.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.530000000000001 110.923 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.58 -159.4 8.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 72.310000000000002 112.544 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -169.18 121.44 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 72.400000000000006 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.88 165.29 27.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.140000000000001 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.6 167.97 9.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 64.519999999999996 111.103 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -149.43 128.1 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 54.25 111.183 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -121.69 104.04 9.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.906 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.75 151.39 37.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 61.43 111.145 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.31 -27.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 72.540000000000006 111.064 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.26 154.6 27.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 73.299999999999997 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.78 76.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 54.329999999999998 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.97 87.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 53.409999999999997 111.105 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 29' ' ' VAL . 93.9 m -55.35 -33.76 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.099 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.38 -25.88 38.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.019999999999996 111.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -71.81 -46.01 59.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -60.35 -27.6 67.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 25' ' ' THR . 74.2 t -66.25 -42.93 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.099999999999994 111.073 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -74.37 -26.52 60.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 64.420000000000002 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.36 -33.87 55.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 74.400000000000006 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.08 -27.33 39.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 73.140000000000001 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.19 -26.38 61.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.871 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -52.35 -37.03 55.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.92 -32.28 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 53.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -57.36 -30.82 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -105.45 -20.95 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 70.120000000000005 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.1 20.08 62.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.471 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.4 mt -122.78 168.5 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 73.540000000000006 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -58.01 -73.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.881 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.72 105.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 70.310000000000002 112.487 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -96.16 122.36 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 72.219999999999999 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -93.74 145.31 24.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 72.420000000000002 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.86 168.28 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 111.203 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -114.6 118.99 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 110.962 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -111.0 75.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.827 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.74 -25.82 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 60.530000000000001 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.45 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.074 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -134.99 13.62 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 63.409999999999997 111.201 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 51.77 48.67 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.549999999999997 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.9 m -142.27 148.32 37.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.530000000000001 111.215 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -98.87 115.81 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 73.450000000000003 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.2 t -94.46 131.33 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 73.150000000000006 111.155 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.42 108.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 43.229999999999997 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -105.95 101.57 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.510000000000005 111.1 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 110.848 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 74.219999999999999 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -101.88 114.2 28.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 61.450000000000003 111.113 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -117.36 158.49 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.129999999999995 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -118.85 154.37 33.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 64.340000000000003 110.943 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.24 117.59 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 111.092 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.76 141.12 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.102 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -105.17 132.9 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.319999999999993 111.126 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -106.5 117.78 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.93 157.74 28.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 71.239999999999995 112.443 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -95.68 -33.32 12.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -77.85 -40.42 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.420000000000002 111.106 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 tp -166.51 132.41 2.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 71.25 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -106.5 173.57 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 110.911 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.99 176.85 25.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 72.310000000000002 112.504 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -160.21 117.75 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 72.400000000000006 110.906 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -143.3 167.96 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 111.183 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER -129.94 147.0 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 64.519999999999996 111.167 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.82 129.98 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 54.25 111.168 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.93 114.74 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 110.874 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.4 -177.38 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 61.43 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.63 -47.43 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.540000000000006 111.147 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -113.93 162.56 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.299999999999997 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.39 -24.44 64.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 54.329999999999998 111.052 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.86 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 53.409999999999997 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.9 m -58.1 -42.66 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 111.155 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.64 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 111.126 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.43 -47.31 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.310000000000002 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -51.77 -30.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 110.876 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.0 t -83.61 -30.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 111.077 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -71.28 -34.28 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 64.420000000000002 110.815 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -72.83 -26.03 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -59.92 -29.67 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.918 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.28 -37.73 62.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 75.230000000000004 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -83.57 -26.26 30.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 53.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.54 -46.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.824 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -92.25 -20.89 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 70.120000000000005 110.893 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.88 60.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 73.319999999999993 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 39' ' ' LEU . 11.7 tp -113.27 153.72 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 73.540000000000006 110.904 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -104.24 82.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.852 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.23 159.38 19.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 70.310000000000002 112.459 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -104.3 112.31 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 72.219999999999999 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -80.93 140.8 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 72.420000000000002 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 166.76 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 73.219999999999999 111.147 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -118.86 116.05 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 60.140000000000001 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.24 83.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 110.933 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.84 -25.0 55.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 60.530000000000001 110.794 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.9 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.422 . . . . 73.25 111.034 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -132.03 13.63 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 63.409999999999997 111.132 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 51.62 50.92 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.549999999999997 110.857 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 m -137.24 147.99 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 73.530000000000001 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.19 113.76 26.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.450000000000003 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.53 117.66 30.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 111.107 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.58 102.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 43.229999999999997 111.141 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 m -101.18 101.65 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 72.510000000000005 111.119 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 71.099999999999994 110.906 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 74.219999999999999 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -115.01 112.0 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 61.450000000000003 111.115 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.38 170.86 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HD3' HG22 ' A' ' 17' ' ' THR . 3.7 tppp? -118.96 147.79 43.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.903 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 120.42 25.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 111.09 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tp -117.15 136.45 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.129999999999995 111.068 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mm -110.65 122.45 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.132 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -81.1 110.39 16.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.109999999999999 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.14 148.08 18.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.569 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -35.65 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 72.439999999999998 110.9 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -89.5 -47.55 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -144.46 115.0 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 132.4 36.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 110.898 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.39 21.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.507 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -165.69 121.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.922 0.392 . . . . 72.400000000000006 110.854 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 p -141.86 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 72.140000000000001 111.209 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.617 HG22 ' HD3' ' A' ' 4' ' ' LYS . 79.8 p -133.59 149.2 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 64.519999999999996 111.086 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.17 129.67 42.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -118.29 115.21 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 75.329999999999998 110.923 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -136.03 162.92 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.5 t -70.15 -45.67 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 111.124 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -112.35 -179.28 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.299999999999997 110.845 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -28.19 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 54.329999999999998 111.08 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.64 -35.54 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 53.409999999999997 111.141 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.567 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 58.0 m -56.93 -36.15 69.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.409999999999997 111.134 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.14 -23.46 38.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.019999999999996 111.107 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -83.2 -28.29 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -82.14 -40.05 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.927 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 26' ' ' ALA . 8.5 p -56.77 -23.63 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 72.099999999999994 111.094 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.35 -22.68 62.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 64.420000000000002 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.47 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 110.838 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -85.88 -29.8 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.140000000000001 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.7 -28.91 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.49 -35.34 73.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 75.230000000000004 110.851 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.62 -26.25 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 53.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.96 -43.7 94.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.908 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.71 -20.96 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.120000000000005 110.83 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.67 20.99 62.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 73.319999999999993 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tp -106.17 153.0 22.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 73.540000000000006 110.856 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -116.91 75.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.823 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.7 -179.97 37.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 70.310000000000002 112.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -107.21 120.02 40.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 72.219999999999999 110.879 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -88.72 138.3 31.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.420000000000002 110.939 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.32 153.29 47.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.219999999999999 111.096 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -108.33 105.37 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 60.140000000000001 110.934 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.68 79.35 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 74.420000000000002 110.783 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.08 -24.47 54.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 60.530000000000001 110.904 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.49 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.05 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 p -129.44 14.34 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 63.409999999999997 111.128 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt 51.65 48.78 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 110.869 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 m -138.98 147.68 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.530000000000001 111.147 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -93.65 114.32 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 73.450000000000003 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.53 113.7 25.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 111.138 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.31 102.79 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 43.229999999999997 111.147 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.6 m -104.96 101.94 11.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 72.510000000000005 111.136 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.368 . . . . 74.219999999999999 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -108.71 123.87 49.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.264 -0.425 . . . . 61.450000000000003 111.144 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -131.75 164.43 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HB3' HG23 ' A' ' 51' ' ' THR . 33.0 ttmt -123.26 158.53 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.902 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.15 111.0 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 73.129999999999995 111.087 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 tp -103.97 139.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.5 mm -107.84 135.86 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 111.106 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -127.4 101.03 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.27 171.16 21.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 71.239999999999995 112.528 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -90.9 -45.62 8.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 72.439999999999998 110.89 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -65.88 -52.37 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 12' ' ' LEU . 2.1 pt? -162.54 139.88 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.916 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.48 174.57 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.876 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.93 -153.63 6.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 72.310000000000002 112.432 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -171.28 144.53 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 72.400000000000006 110.878 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -157.29 169.1 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 72.140000000000001 111.101 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -127.87 146.92 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.24 138.19 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 54.25 111.132 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -127.43 115.37 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.329999999999998 110.844 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -137.96 146.08 42.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 61.43 111.142 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -60.19 -28.5 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.540000000000006 111.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.23 153.4 49.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -26.28 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 54.329999999999998 111.108 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.22 -35.7 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 53.409999999999997 111.088 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 29' ' ' VAL . 92.0 m -55.94 -36.76 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.129 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -26.65 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.019999999999996 111.045 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.57 -44.91 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 72.310000000000002 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -60.59 -26.98 67.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.933 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 25' ' ' THR . 65.5 t -71.75 -38.3 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 111.162 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -63.6 -26.48 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 64.420000000000002 110.918 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -63.08 -56.74 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -58.57 -26.33 63.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.957 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -83.25 -27.07 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 110.904 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -53.13 -34.75 58.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.230000000000004 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -82.96 -30.55 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -55.04 -45.28 75.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 72.530000000000001 110.897 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -102.37 -20.93 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 70.120000000000005 110.912 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.2 24.39 63.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 73.319999999999993 112.457 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.63 156.46 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 73.540000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.84 35.63 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.845 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.29 154.23 47.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 70.310000000000002 112.543 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -107.83 115.15 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -79.53 143.65 34.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -135.27 167.99 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.125 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' H ' HG22 ' A' ' 44' ' ' THR . 12.6 p90 -119.83 115.83 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 110.905 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -105.21 83.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 74.420000000000002 110.848 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.5 -24.95 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 60.530000000000001 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.73 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.25 111.044 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 p -132.0 14.12 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 63.409999999999997 111.083 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.57 50.17 19.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 73.549999999999997 110.938 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 4' ' ' LYS . 29.1 m -137.35 149.11 46.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 111.11 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.58 115.02 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 73.450000000000003 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.46 122.85 37.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 73.150000000000006 111.142 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 7' ' ' ILE . 21.8 t -102.35 102.63 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 43.229999999999997 111.088 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -103.2 104.34 14.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 72.510000000000005 111.109 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 71.099999999999994 110.956 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.854 0.359 . . . . 74.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.3 m -104.3 117.48 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 61.450000000000003 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -133.21 167.62 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 71.129999999999995 110.879 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -134.58 159.29 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.51 123.85 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.129999999999995 111.087 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tp -116.93 139.49 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 111.106 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -106.37 135.4 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -115.71 76.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.888 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.65 161.64 12.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 71.239999999999995 112.465 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -91.89 -28.51 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 72.439999999999998 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.586 ' HB ' HD23 ' A' ' 12' ' ' LEU . 3.2 m -107.37 -43.11 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 111.109 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.586 HD23 ' HB ' ' A' ' 11' ' ' THR . 0.2 OUTLIER -118.72 111.99 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -127.84 133.8 49.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.884 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.41 -161.15 9.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 72.310000000000002 112.525 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.75 117.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 72.400000000000006 110.888 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -132.04 169.39 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 111.136 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -111.43 166.98 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.519999999999996 111.128 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.25 119.45 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 54.25 111.161 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.52 104.83 11.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 75.329999999999998 110.891 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.48 166.82 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.079 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.15 -51.0 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.540000000000006 111.18 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.13 -177.35 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.861 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.12 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 54.329999999999998 111.07 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.31 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.409999999999997 111.107 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -57.36 -42.15 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 73.409999999999997 111.153 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.41 -25.24 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 111.114 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.904 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -54.09 -36.86 63.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 110.938 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.47 -28.59 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.099999999999994 111.159 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.27 -45.33 63.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -27.32 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 74.400000000000006 110.884 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.57 -34.43 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.26 -26.44 30.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.120000000000005 110.933 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 75.230000000000004 110.873 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -82.66 -30.73 29.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 53.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.29 -40.84 62.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 72.530000000000001 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -100.64 -20.92 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.120000000000005 110.878 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 38.74 94.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 73.319999999999993 112.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.91 155.95 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.540000000000006 110.921 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -107.8 67.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.04 158.83 20.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 70.310000000000002 112.453 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -113.19 125.38 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 110.901 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.38 148.13 22.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 72.420000000000002 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -143.66 129.96 19.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 73.219999999999999 111.129 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -85.29 110.4 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 60.140000000000001 110.952 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.56 76.56 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.420000000000002 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.93 -24.52 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 60.530000000000001 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -36.38 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.071 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -131.97 17.11 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 63.409999999999997 111.146 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 51.64 48.07 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.549999999999997 110.86 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -135.52 149.0 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 73.530000000000001 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -101.89 113.93 27.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 73.450000000000003 110.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -94.52 134.1 37.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 73.150000000000006 111.158 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.6 t -115.3 102.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 43.229999999999997 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -104.86 103.23 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.147 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.099999999999994 110.901 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 74.219999999999999 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -104.57 133.82 48.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 61.450000000000003 111.138 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -138.62 170.3 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 71.129999999999995 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 51' ' ' THR . 3.9 ptpt -138.14 150.19 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.904 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.07 134.01 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 111.089 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -116.02 139.09 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -109.33 127.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.145 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -89.76 157.28 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.804 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.03 116.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 71.239999999999995 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -39.82 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 72.439999999999998 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -69.99 -36.52 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 111.173 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -164.43 145.38 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -120.02 164.0 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 110.9 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.81 153.35 23.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 72.310000000000002 112.495 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -138.17 115.31 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 72.400000000000006 110.893 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 p -139.85 151.72 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 72.140000000000001 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 162.19 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 64.519999999999996 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.489 HG21 HG21 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 54.25 111.111 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -119.54 119.22 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.329999999999998 110.903 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -156.73 146.41 20.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 61.43 111.08 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.83 -26.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 72.540000000000006 111.122 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.16 157.85 27.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 73.299999999999997 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.37 -36.96 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 54.329999999999998 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.37 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.409999999999997 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.586 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 33.4 m -57.2 -48.32 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.152 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -25.21 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 74.019999999999996 111.136 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.53 -47.69 80.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.310000000000002 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -55.51 -34.82 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.899 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG21 HG21 ' A' ' 18' ' ' THR . 60.5 t -53.52 -39.88 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 111.155 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -85.03 -28.36 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.857 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -54.03 -30.18 46.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.400000000000006 110.845 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.18 -26.36 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -74.15 -26.46 60.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 74.120000000000005 110.94 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.76 -40.31 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 110.89 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.59 -27.67 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 53.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.48 -43.93 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.530000000000001 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -96.82 -20.93 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 70.120000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.03 27.03 72.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.834 -0.698 . . . . 73.319999999999993 112.431 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -113.09 129.9 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.331 . . . . 73.540000000000006 110.925 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.572 ' N ' HD13 ' A' ' 39' ' ' LEU . 5.0 p-10 -100.53 69.21 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 74.430000000000007 110.89 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 168.02 51.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 70.310000000000002 112.507 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -99.47 110.77 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -82.98 141.79 31.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 72.420000000000002 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.2 156.9 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 73.219999999999999 111.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.52 102.0 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 60.140000000000001 110.893 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.66 75.21 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 74.420000000000002 110.843 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.98 -24.43 53.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 60.530000000000001 110.833 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.11 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.25 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.2 p -131.34 16.25 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.409999999999997 111.119 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 51.58 51.58 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.549999999999997 110.954 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 4' ' ' LYS . 58.7 m -140.28 146.9 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.530000000000001 111.133 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -97.91 115.09 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -94.45 118.26 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.128 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.49 115.65 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 43.229999999999997 111.127 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.72 102.7 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.112 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 74.219999999999999 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -94.3 108.99 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 61.450000000000003 111.081 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -106.82 167.74 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -124.41 148.22 47.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 64.340000000000003 110.887 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.68 125.41 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.129999999999995 111.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -120.15 139.05 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 111.146 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mm -113.43 129.62 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 111.149 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.44 88.28 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.109999999999999 110.837 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.25 154.37 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 71.239999999999995 112.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -50.88 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 72.439999999999998 110.918 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -108.7 -47.57 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.420000000000002 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -127.5 131.55 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.25 110.907 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.78 172.62 12.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 74.530000000000001 110.935 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.71 3.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 72.310000000000002 112.449 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -167.74 134.93 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.022 0.439 . . . . 72.400000000000006 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -126.12 168.91 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 72.140000000000001 111.115 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -120.44 147.46 45.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 64.519999999999996 111.074 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -125.02 130.04 51.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 54.25 111.157 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.64 109.45 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 110.908 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.43 162.25 41.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 61.43 111.058 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.93 -52.41 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.14 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -123.07 160.96 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 73.299999999999997 110.886 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.21 79.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 54.329999999999998 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.75 -37.35 50.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.409999999999997 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.483 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 57.0 m -55.28 -32.13 62.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 73.409999999999997 111.156 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.18 -30.07 43.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.019999999999996 111.089 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -54.34 29.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 72.310000000000002 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -52.86 -29.15 26.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 25' ' ' THR . 89.9 t -81.82 -42.14 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.129 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.79 -54.1 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 64.420000000000002 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -31.23 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.95 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -66.07 -44.78 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.140000000000001 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.11 -26.65 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.95 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.03 -35.31 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 75.230000000000004 110.855 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.41 -48.64 10.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 53.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.41 -45.85 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.93 -20.92 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.901 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.35 20.56 61.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.772 . . . . 73.319999999999993 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -74.04 131.89 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 73.540000000000006 110.948 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.3 p30 -98.34 83.09 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.869 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.01 161.72 23.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.462 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.08 124.44 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 72.219999999999999 110.881 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -94.82 149.12 21.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 72.420000000000002 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.7 p -149.4 135.66 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 73.219999999999999 111.145 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -86.12 129.51 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 60.140000000000001 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.69 80.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.32 -22.72 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 60.530000000000001 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.53 -32.54 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.25 111.135 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -134.9 15.86 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 63.409999999999997 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 51.62 48.07 23.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.549999999999997 110.92 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 m -142.33 148.49 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.530000000000001 111.177 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.18 117.85 31.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 m -94.8 135.16 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.150000000000006 111.197 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.9 t -119.57 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 43.229999999999997 111.174 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.13 102.37 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.510000000000005 111.17 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.099999999999994 110.858 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 74.219999999999999 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.2 m -90.84 125.19 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 61.450000000000003 111.1 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -123.0 155.63 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 71.129999999999995 110.867 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HB3' HG23 ' A' ' 51' ' ' THR . 30.4 ttmt -120.68 155.35 34.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 64.340000000000003 110.91 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.41 120.51 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 73.129999999999995 111.144 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -114.9 136.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 75.129999999999995 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -114.76 138.6 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 111.126 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -107.75 76.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.836 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -173.4 3.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 71.239999999999995 112.411 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -93.05 -46.13 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -122.77 -43.89 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 111.174 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.26 109.19 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 71.25 110.952 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.530000000000001 110.968 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.49 -179.37 16.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 72.310000000000002 112.46 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -164.18 146.92 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 72.400000000000006 110.896 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -150.63 163.72 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.140000000000001 111.167 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -114.5 157.72 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 64.519999999999996 111.103 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.63 136.54 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 54.25 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -129.15 113.02 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.66 179.5 6.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 61.43 111.088 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.2 -48.04 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 72.540000000000006 111.181 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.0 162.82 25.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.894 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.7 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 54.329999999999998 111.096 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.38 83.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 53.409999999999997 111.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 m -57.97 -35.55 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 111.155 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.69 40.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.019999999999996 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.36 -35.84 58.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.310000000000002 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -29.3 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.853 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.39 -44.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 72.099999999999994 111.145 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -53.71 -29.15 37.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 64.420000000000002 110.943 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -41.47 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 74.400000000000006 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -78.94 -29.15 43.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.36 -26.88 65.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 74.120000000000005 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -53.65 -35.82 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 75.230000000000004 110.826 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -83.59 -40.84 18.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 53.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.530000000000001 110.884 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.9 -20.94 16.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 70.120000000000005 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.56 20.38 61.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 73.319999999999993 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.6 mt -122.26 163.92 18.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 73.540000000000006 110.947 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -121.26 45.07 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.874 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.93 160.94 29.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.755 . . . . 70.310000000000002 112.5 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -100.43 121.49 41.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 72.219999999999999 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -90.86 149.61 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 72.420000000000002 110.945 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 p -149.81 136.52 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.155 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -86.26 129.34 34.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.887 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.33 79.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 110.839 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.11 -24.3 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.530000000000001 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.64 -36.21 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.133 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.7 p -132.37 15.25 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 63.409999999999997 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 51.64 49.51 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.549999999999997 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.451 HG23 ' HB3' ' A' ' 4' ' ' LYS . 27.3 m -140.49 149.02 41.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 73.530000000000001 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -96.95 116.3 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.450000000000003 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -94.46 133.29 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.185 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.8 t -116.7 102.77 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 43.229999999999997 111.17 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.7 m -106.1 101.88 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 72.510000000000005 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 71.099999999999994 110.883 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.1 m -108.91 118.92 38.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 61.450000000000003 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.47 170.91 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.7 149.84 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 64.340000000000003 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.54 128.69 46.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.129999999999995 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 tp -125.75 142.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.213 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 mm -111.55 133.9 55.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.319999999999993 111.146 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -115.95 76.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.109999999999999 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.35 174.23 32.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.47 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -26.95 15.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.381 . . . . 72.439999999999998 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -132.26 -47.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 111.166 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -108.89 103.85 12.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 71.25 110.926 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.21 173.58 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.903 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.84 -157.63 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 72.310000000000002 112.459 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.5 135.06 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 72.400000000000006 110.909 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -135.14 -177.22 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 72.140000000000001 111.213 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.18 158.17 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 64.519999999999996 111.157 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.9 114.34 16.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.213 -0.449 . . . . 54.25 111.134 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -128.37 103.8 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.906 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -133.08 179.82 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 61.43 111.11 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -81.19 -47.74 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 72.540000000000006 111.183 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -127.79 161.96 27.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.899 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.57 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 54.329999999999998 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.47 76.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 53.409999999999997 111.067 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.451 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 24.9 m -56.54 -33.22 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 111.171 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -25.79 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 74.019999999999996 111.076 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -75.76 -45.87 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.310000000000002 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -57.51 -25.97 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 25' ' ' THR . 74.8 t -83.19 -28.59 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 111.079 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.11 -47.73 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 64.420000000000002 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -55.3 -28.15 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -79.02 -34.39 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.948 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -33.12 69.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.941 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -53.88 -43.42 69.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.521 . . . . 75.230000000000004 110.923 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.42 -27.98 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 53.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.43 -47.23 73.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -20.94 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 70.120000000000005 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.78 19.93 77.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 73.319999999999993 112.514 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 40' ' ' ASP . 3.1 pp -79.91 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 73.540000000000006 110.932 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 4.9 p-10 -126.03 94.6 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 74.430000000000007 110.839 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.32 152.74 22.08 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 70.310000000000002 112.522 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.09 119.15 35.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 72.219999999999999 110.927 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -92.21 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.420000000000002 110.925 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -134.09 169.79 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.411 . . . . 73.219999999999999 111.153 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' H ' HG22 ' A' ' 44' ' ' THR . 13.3 p90 -119.2 115.54 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 60.140000000000001 110.959 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -102.21 80.61 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 110.932 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.62 -24.84 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 60.530000000000001 110.792 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.67 46.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.118 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.2 p -129.91 14.17 5.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 111.101 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 51.68 53.37 12.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.857 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.1 m -144.56 148.91 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.530000000000001 111.211 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -94.61 114.44 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.429 . . . . 73.450000000000003 110.855 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 t -94.53 132.83 38.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 73.150000000000006 111.165 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.62 102.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 43.229999999999997 111.111 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -110.04 101.87 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.510000000000005 111.144 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 71.099999999999994 110.92 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.893 0.378 . . . . 74.219999999999999 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.4 m -112.68 126.21 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 61.450000000000003 111.179 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -145.12 161.73 38.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.816 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.97 159.7 35.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 64.340000000000003 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.8 94.66 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 111.133 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.22 139.31 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 75.129999999999995 111.182 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 132.84 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 111.122 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.446 HD22 HG23 ' A' ' 55' ' ' THR . 54.0 t30 -105.48 82.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.887 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.56 172.91 50.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 71.239999999999995 112.499 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -53.0 -55.79 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 72.439999999999998 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -124.59 -37.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 75.420000000000002 111.174 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.19 120.42 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.25 110.963 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -85.51 126.48 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.892 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.05 155.28 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 72.310000000000002 112.421 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -153.53 132.92 12.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 72.400000000000006 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.26 164.79 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 72.140000000000001 111.125 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -117.05 146.74 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 64.519999999999996 111.092 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.07 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 54.25 111.159 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -128.02 103.05 7.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 110.851 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.37 158.46 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 61.43 111.136 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.45 -26.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 111.187 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.81 161.48 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.299999999999997 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.43 -28.34 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 54.329999999999998 111.084 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.87 -43.84 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 53.409999999999997 111.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.2 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.099 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.08 -26.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.019999999999996 111.09 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -76.12 -29.63 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 72.310000000000002 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.78 -27.23 68.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.79 -40.84 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 111.12 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.02 -31.19 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 64.420000000000002 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -60.23 -50.11 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 74.400000000000006 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -72.22 -26.49 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.954 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.98 -39.45 75.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.882 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.84 -42.23 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.825 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.42 -26.98 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 53.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.97 -45.23 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 72.530000000000001 110.862 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -105.89 -20.83 13.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 70.120000000000005 110.938 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.26 20.73 71.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 73.319999999999993 112.454 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.98 160.04 15.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 73.540000000000006 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -96.44 61.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.811 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.12 144.22 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 70.310000000000002 112.453 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -98.8 113.2 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 72.219999999999999 110.906 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.35 151.68 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 72.420000000000002 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 167.78 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 73.219999999999999 111.088 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -114.65 117.79 31.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 60.140000000000001 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.78 79.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 74.420000000000002 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -57.93 -23.22 52.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 60.530000000000001 110.853 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -32.87 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.25 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -133.8 14.64 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 63.409999999999997 111.133 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 51.55 50.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.549999999999997 110.925 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -145.49 147.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.530000000000001 111.11 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -91.87 118.83 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.59 128.96 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 111.117 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.01 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 43.229999999999997 111.077 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.446 HG23 HD22 ' A' ' 8' ' ' ASN . 2.5 m -114.37 103.15 10.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 72.510000000000005 111.097 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 71.099999999999994 110.918 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 74.219999999999999 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -104.72 117.39 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 61.450000000000003 111.104 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -139.72 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 110.907 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -136.8 156.25 48.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 64.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.8 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 111.112 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 tp -111.43 133.89 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 111.155 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.06 135.11 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 111.154 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.88 96.64 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 74.109999999999999 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.01 135.43 5.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 71.239999999999995 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -73.91 -36.12 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 72.439999999999998 110.845 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 m -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 75.420000000000002 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 tp -154.87 134.13 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.01 136.04 45.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.530000000000001 110.923 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.58 -159.4 8.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 72.310000000000002 112.544 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -169.18 121.44 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 72.400000000000006 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.88 165.29 27.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.140000000000001 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.6 167.97 9.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 64.519999999999996 111.103 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -149.43 128.1 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 54.25 111.183 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -121.69 104.04 9.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.906 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.75 151.39 37.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 61.43 111.145 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.31 -27.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 72.540000000000006 111.064 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.26 154.6 27.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 73.299999999999997 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.78 76.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 54.329999999999998 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.97 87.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 53.409999999999997 111.105 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 29' ' ' VAL . 93.9 m -55.35 -33.76 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.099 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.38 -25.88 38.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.019999999999996 111.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -71.81 -46.01 59.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -60.35 -27.6 67.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 25' ' ' THR . 74.2 t -66.25 -42.93 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.099999999999994 111.073 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -74.37 -26.52 60.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 64.420000000000002 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.36 -33.87 55.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 74.400000000000006 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.08 -27.33 39.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 73.140000000000001 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.19 -26.38 61.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.871 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -52.35 -37.03 55.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.92 -32.28 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 53.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -57.36 -30.82 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -105.45 -20.95 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 70.120000000000005 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.1 20.08 62.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.471 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.4 mt -122.78 168.5 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 73.540000000000006 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -58.01 -73.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.881 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.72 105.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 70.310000000000002 112.487 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -96.16 122.36 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 72.219999999999999 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -93.74 145.31 24.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 72.420000000000002 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.86 168.28 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 111.203 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -114.6 118.99 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 110.962 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -111.0 75.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.827 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.74 -25.82 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 60.530000000000001 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.45 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.074 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -134.99 13.62 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 63.409999999999997 111.201 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 51.77 48.67 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.549999999999997 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.9 m -142.27 148.32 37.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.530000000000001 111.215 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -98.87 115.81 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 73.450000000000003 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.2 t -94.46 131.33 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 73.150000000000006 111.155 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.42 108.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 43.229999999999997 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -105.95 101.57 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.510000000000005 111.1 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 110.848 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 74.219999999999999 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -101.88 114.2 28.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 61.450000000000003 111.113 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -117.36 158.49 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.129999999999995 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -118.85 154.37 33.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 64.340000000000003 110.943 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.24 117.59 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 111.092 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.76 141.12 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.102 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -105.17 132.9 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.319999999999993 111.126 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -106.5 117.78 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.93 157.74 28.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 71.239999999999995 112.443 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -95.68 -33.32 12.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -77.85 -40.42 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.420000000000002 111.106 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 tp -166.51 132.41 2.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 71.25 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -106.5 173.57 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 110.911 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.99 176.85 25.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 72.310000000000002 112.504 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -160.21 117.75 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 72.400000000000006 110.906 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -143.3 167.96 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 111.183 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER -129.94 147.0 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 64.519999999999996 111.167 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.82 129.98 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 54.25 111.168 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.93 114.74 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 110.874 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.4 -177.38 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 61.43 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.63 -47.43 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.540000000000006 111.147 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -113.93 162.56 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.299999999999997 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.39 -24.44 64.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 54.329999999999998 111.052 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.86 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 53.409999999999997 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.9 m -58.1 -42.66 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 111.155 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.64 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 111.126 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.43 -47.31 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.310000000000002 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -51.77 -30.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 110.876 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.0 t -83.61 -30.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 111.077 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -71.28 -34.28 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 64.420000000000002 110.815 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -72.83 -26.03 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -59.92 -29.67 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.918 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.28 -37.73 62.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 75.230000000000004 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -83.57 -26.26 30.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 53.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.54 -46.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.824 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -92.25 -20.89 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 70.120000000000005 110.893 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.88 60.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 73.319999999999993 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 39' ' ' LEU . 11.7 tp -113.27 153.72 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 73.540000000000006 110.904 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -104.24 82.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.852 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.23 159.38 19.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 70.310000000000002 112.459 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -104.3 112.31 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 72.219999999999999 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -80.93 140.8 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 72.420000000000002 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 166.76 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 73.219999999999999 111.147 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -118.86 116.05 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 60.140000000000001 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.24 83.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 110.933 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.84 -25.0 55.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 60.530000000000001 110.794 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.9 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.422 . . . . 73.25 111.034 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -132.03 13.63 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 63.409999999999997 111.132 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 51.62 50.92 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.549999999999997 110.857 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 m -137.24 147.99 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 73.530000000000001 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.19 113.76 26.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.450000000000003 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.53 117.66 30.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 111.107 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.58 102.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 43.229999999999997 111.141 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 m -101.18 101.65 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 72.510000000000005 111.119 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 71.099999999999994 110.906 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 74.219999999999999 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -115.01 112.0 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 61.450000000000003 111.115 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.38 170.86 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HD3' HG22 ' A' ' 17' ' ' THR . 3.7 tppp? -118.96 147.79 43.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.903 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 120.42 25.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 111.09 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tp -117.15 136.45 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.129999999999995 111.068 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mm -110.65 122.45 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.132 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -81.1 110.39 16.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.109999999999999 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.14 148.08 18.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.569 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -35.65 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 72.439999999999998 110.9 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -89.5 -47.55 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -144.46 115.0 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 132.4 36.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 110.898 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.39 21.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.507 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -165.69 121.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.922 0.392 . . . . 72.400000000000006 110.854 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 p -141.86 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 72.140000000000001 111.209 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.617 HG22 ' HD3' ' A' ' 4' ' ' LYS . 79.8 p -133.59 149.2 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 64.519999999999996 111.086 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.17 129.67 42.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -118.29 115.21 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 75.329999999999998 110.923 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -136.03 162.92 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.5 t -70.15 -45.67 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 111.124 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -112.35 -179.28 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.299999999999997 110.845 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -28.19 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 54.329999999999998 111.08 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.64 -35.54 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 53.409999999999997 111.141 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.567 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 58.0 m -56.93 -36.15 69.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.409999999999997 111.134 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.14 -23.46 38.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.019999999999996 111.107 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -83.2 -28.29 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -82.14 -40.05 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.927 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 26' ' ' ALA . 8.5 p -56.77 -23.63 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 72.099999999999994 111.094 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.35 -22.68 62.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 64.420000000000002 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.47 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 110.838 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -85.88 -29.8 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.140000000000001 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.7 -28.91 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.49 -35.34 73.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 75.230000000000004 110.851 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.62 -26.25 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 53.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.96 -43.7 94.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.908 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.71 -20.96 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.120000000000005 110.83 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.67 20.99 62.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 73.319999999999993 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tp -106.17 153.0 22.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 73.540000000000006 110.856 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -116.91 75.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.823 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.7 -179.97 37.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 70.310000000000002 112.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -107.21 120.02 40.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 72.219999999999999 110.879 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -88.72 138.3 31.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.420000000000002 110.939 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.32 153.29 47.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.219999999999999 111.096 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -108.33 105.37 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 60.140000000000001 110.934 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.68 79.35 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 74.420000000000002 110.783 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.08 -24.47 54.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 60.530000000000001 110.904 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.49 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.05 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 p -129.44 14.34 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 63.409999999999997 111.128 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt 51.65 48.78 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 110.869 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 m -138.98 147.68 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.530000000000001 111.147 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -93.65 114.32 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 73.450000000000003 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.53 113.7 25.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 111.138 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.31 102.79 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 43.229999999999997 111.147 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.6 m -104.96 101.94 11.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 72.510000000000005 111.136 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.368 . . . . 74.219999999999999 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -108.71 123.87 49.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.264 -0.425 . . . . 61.450000000000003 111.144 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -131.75 164.43 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HB3' HG23 ' A' ' 51' ' ' THR . 33.0 ttmt -123.26 158.53 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.902 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.15 111.0 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 73.129999999999995 111.087 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 tp -103.97 139.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.5 mm -107.84 135.86 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 111.106 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -127.4 101.03 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.27 171.16 21.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 71.239999999999995 112.528 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -90.9 -45.62 8.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 72.439999999999998 110.89 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -65.88 -52.37 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 12' ' ' LEU . 2.1 pt? -162.54 139.88 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.916 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.48 174.57 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.876 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.93 -153.63 6.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 72.310000000000002 112.432 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -171.28 144.53 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 72.400000000000006 110.878 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -157.29 169.1 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 72.140000000000001 111.101 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -127.87 146.92 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.24 138.19 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 54.25 111.132 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -127.43 115.37 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.329999999999998 110.844 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -137.96 146.08 42.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 61.43 111.142 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -60.19 -28.5 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.540000000000006 111.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.23 153.4 49.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -26.28 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 54.329999999999998 111.108 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.22 -35.7 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 53.409999999999997 111.088 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 29' ' ' VAL . 92.0 m -55.94 -36.76 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.129 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -26.65 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.019999999999996 111.045 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.57 -44.91 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 72.310000000000002 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -60.59 -26.98 67.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.933 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 25' ' ' THR . 65.5 t -71.75 -38.3 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 111.162 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -63.6 -26.48 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 64.420000000000002 110.918 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -63.08 -56.74 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -58.57 -26.33 63.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.957 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -83.25 -27.07 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 110.904 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -53.13 -34.75 58.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.230000000000004 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -82.96 -30.55 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -55.04 -45.28 75.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 72.530000000000001 110.897 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -102.37 -20.93 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 70.120000000000005 110.912 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.2 24.39 63.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 73.319999999999993 112.457 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.63 156.46 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 73.540000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.84 35.63 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.845 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.29 154.23 47.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 70.310000000000002 112.543 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -107.83 115.15 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -79.53 143.65 34.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -135.27 167.99 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.125 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' H ' HG22 ' A' ' 44' ' ' THR . 12.6 p90 -119.83 115.83 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 110.905 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -105.21 83.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 74.420000000000002 110.848 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.5 -24.95 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 60.530000000000001 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.73 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.25 111.044 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 p -132.0 14.12 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 63.409999999999997 111.083 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.57 50.17 19.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 73.549999999999997 110.938 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 4' ' ' LYS . 29.1 m -137.35 149.11 46.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 111.11 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.58 115.02 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 73.450000000000003 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.46 122.85 37.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 73.150000000000006 111.142 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 7' ' ' ILE . 21.8 t -102.35 102.63 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 43.229999999999997 111.088 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -103.2 104.34 14.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 72.510000000000005 111.109 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 71.099999999999994 110.956 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.854 0.359 . . . . 74.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.3 m -104.3 117.48 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 61.450000000000003 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -133.21 167.62 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 71.129999999999995 110.879 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -134.58 159.29 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.51 123.85 21.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.129999999999995 111.087 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tp -116.93 139.49 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 111.106 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.5 mm -106.37 135.4 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -115.71 76.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.888 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.65 161.64 12.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 71.239999999999995 112.465 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -91.89 -28.51 17.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 72.439999999999998 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.586 ' HB ' HD23 ' A' ' 12' ' ' LEU . 3.2 m -107.37 -43.11 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 111.109 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.586 HD23 ' HB ' ' A' ' 11' ' ' THR . 0.2 OUTLIER -118.72 111.99 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -127.84 133.8 49.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.884 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.41 -161.15 9.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.805 -0.712 . . . . 72.310000000000002 112.525 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.75 117.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 72.400000000000006 110.888 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -132.04 169.39 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 111.136 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -111.43 166.98 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.519999999999996 111.128 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.25 119.45 10.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 54.25 111.161 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.52 104.83 11.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 75.329999999999998 110.891 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.48 166.82 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.079 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.15 -51.0 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.540000000000006 111.18 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -126.13 -177.35 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.861 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.12 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 54.329999999999998 111.07 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.31 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.409999999999997 111.107 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -57.36 -42.15 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 73.409999999999997 111.153 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.41 -25.24 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 111.114 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.904 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -54.09 -36.86 63.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 110.938 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.47 -28.59 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 72.099999999999994 111.159 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -71.27 -45.33 63.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.871 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -27.32 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 74.400000000000006 110.884 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.57 -34.43 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.26 -26.44 30.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.120000000000005 110.933 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -53.62 -38.32 63.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 75.230000000000004 110.873 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -82.66 -30.73 29.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 53.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.29 -40.84 62.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 72.530000000000001 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -100.64 -20.92 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 70.120000000000005 110.878 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.14 38.74 94.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.733 . . . . 73.319999999999993 112.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.91 155.95 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 73.540000000000006 110.921 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -107.8 67.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.04 158.83 20.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 70.310000000000002 112.453 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -113.19 125.38 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 110.901 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.38 148.13 22.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 72.420000000000002 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -143.66 129.96 19.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 73.219999999999999 111.129 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -85.29 110.4 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 60.140000000000001 110.952 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.56 76.56 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 74.420000000000002 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -56.93 -24.52 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 60.530000000000001 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -36.38 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.071 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -131.97 17.11 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 63.409999999999997 111.146 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 51.64 48.07 23.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.549999999999997 110.86 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -135.52 149.0 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 73.530000000000001 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -101.89 113.93 27.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 73.450000000000003 110.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -94.52 134.1 37.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 73.150000000000006 111.158 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.6 t -115.3 102.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 43.229999999999997 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -104.86 103.23 12.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.147 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.099999999999994 110.901 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 74.219999999999999 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -104.57 133.82 48.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 61.450000000000003 111.138 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -138.62 170.3 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 71.129999999999995 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 51' ' ' THR . 3.9 ptpt -138.14 150.19 46.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.904 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.07 134.01 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 111.089 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -116.02 139.09 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mt -109.33 127.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.145 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -89.76 157.28 18.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.804 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.03 116.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 71.239999999999995 112.476 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -39.82 95.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 72.439999999999998 110.928 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -69.99 -36.52 75.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 111.173 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -164.43 145.38 8.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.94 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -120.02 164.0 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 110.9 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.81 153.35 23.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 72.310000000000002 112.495 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -138.17 115.31 10.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 72.400000000000006 110.893 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 p -139.85 151.72 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 72.140000000000001 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 162.19 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 64.519999999999996 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.489 HG21 HG21 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 54.25 111.111 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -119.54 119.22 33.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.329999999999998 110.903 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -156.73 146.41 20.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 61.43 111.08 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -79.83 -26.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 72.540000000000006 111.122 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.16 157.85 27.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 73.299999999999997 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.37 -36.96 74.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 54.329999999999998 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.37 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.409999999999997 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.586 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 33.4 m -57.2 -48.32 79.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.152 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -25.21 54.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 74.019999999999996 111.136 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.53 -47.69 80.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 72.310000000000002 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -55.51 -34.82 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.899 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG21 HG21 ' A' ' 18' ' ' THR . 60.5 t -53.52 -39.88 38.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 111.155 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -85.03 -28.36 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.857 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -54.03 -30.18 46.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.400000000000006 110.845 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.18 -26.36 30.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -74.15 -26.46 60.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 74.120000000000005 110.94 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.76 -40.31 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 110.89 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.59 -27.67 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 53.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.48 -43.93 75.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.530000000000001 110.91 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -96.82 -20.93 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 70.120000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.03 27.03 72.53 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.834 -0.698 . . . . 73.319999999999993 112.431 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -113.09 129.9 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.331 . . . . 73.540000000000006 110.925 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.572 ' N ' HD13 ' A' ' 39' ' ' LEU . 5.0 p-10 -100.53 69.21 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 74.430000000000007 110.89 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 168.02 51.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 70.310000000000002 112.507 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -99.47 110.77 23.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -82.98 141.79 31.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 72.420000000000002 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.2 156.9 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 73.219999999999999 111.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -111.52 102.0 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 60.140000000000001 110.893 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.66 75.21 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 74.420000000000002 110.843 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.98 -24.43 53.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 60.530000000000001 110.833 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.11 44.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.25 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.2 p -131.34 16.25 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.409999999999997 111.119 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.0 mptt 51.58 51.58 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.549999999999997 110.954 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 4' ' ' LYS . 58.7 m -140.28 146.9 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.530000000000001 111.133 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -97.91 115.09 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.885 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -94.45 118.26 31.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.150000000000006 111.128 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.49 115.65 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 43.229999999999997 111.127 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.72 102.7 8.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.112 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 74.219999999999999 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -94.3 108.99 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 61.450000000000003 111.081 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -106.82 167.74 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -124.41 148.22 47.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 64.340000000000003 110.887 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.68 125.41 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.129999999999995 111.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -120.15 139.05 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 111.146 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 mm -113.43 129.62 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 111.149 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.44 88.28 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.109999999999999 110.837 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.25 154.37 31.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 71.239999999999995 112.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -50.88 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 72.439999999999998 110.918 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -108.7 -47.57 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.420000000000002 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -127.5 131.55 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.25 110.907 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.78 172.62 12.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 74.530000000000001 110.935 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.71 3.97 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.651 -0.785 . . . . 72.310000000000002 112.449 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -167.74 134.93 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.022 0.439 . . . . 72.400000000000006 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -126.12 168.91 13.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 72.140000000000001 111.115 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -120.44 147.46 45.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 64.519999999999996 111.074 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -125.02 130.04 51.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 54.25 111.157 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.64 109.45 17.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 110.908 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.43 162.25 41.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 61.43 111.058 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.93 -52.41 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.540000000000006 111.14 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -123.07 160.96 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 73.299999999999997 110.886 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -47.21 79.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 54.329999999999998 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.75 -37.35 50.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.409999999999997 111.141 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.483 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 57.0 m -55.28 -32.13 62.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 73.409999999999997 111.156 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.18 -30.07 43.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.019999999999996 111.089 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -54.34 29.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 72.310000000000002 110.879 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -52.86 -29.15 26.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 25' ' ' THR . 89.9 t -81.82 -42.14 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 111.129 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -59.79 -54.1 50.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 64.420000000000002 110.898 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -31.23 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.95 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -66.07 -44.78 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.140000000000001 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.11 -26.65 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.95 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.03 -35.31 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 75.230000000000004 110.855 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.41 -48.64 10.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 53.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.41 -45.85 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.93 -20.92 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 70.120000000000005 110.901 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.35 20.56 61.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.772 . . . . 73.319999999999993 112.5 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -74.04 131.89 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 73.540000000000006 110.948 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.3 p30 -98.34 83.09 3.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.869 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.01 161.72 23.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 70.310000000000002 112.462 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -108.08 124.44 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 72.219999999999999 110.881 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -94.82 149.12 21.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 72.420000000000002 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.7 p -149.4 135.66 19.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 73.219999999999999 111.145 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -86.12 129.51 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 60.140000000000001 110.937 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.69 80.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.32 -22.72 54.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 60.530000000000001 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.53 -32.54 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.25 111.135 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -134.9 15.86 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 63.409999999999997 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt 51.62 48.07 23.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.549999999999997 110.92 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.5 m -142.33 148.49 38.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.530000000000001 111.177 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.18 117.85 31.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.0 m -94.8 135.16 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 73.150000000000006 111.197 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.9 t -119.57 104.62 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 43.229999999999997 111.174 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.13 102.37 11.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.510000000000005 111.17 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 71.099999999999994 110.858 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.819 0.342 . . . . 74.219999999999999 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.2 m -90.84 125.19 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 61.450000000000003 111.1 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -123.0 155.63 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 71.129999999999995 110.867 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HB3' HG23 ' A' ' 51' ' ' THR . 30.4 ttmt -120.68 155.35 34.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 64.340000000000003 110.91 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.41 120.51 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 73.129999999999995 111.144 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -114.9 136.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 75.129999999999995 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt -114.76 138.6 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 111.126 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -107.75 76.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.836 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.25 -173.4 3.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 71.239999999999995 112.411 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -93.05 -46.13 7.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -122.77 -43.89 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 111.174 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.26 109.19 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 71.25 110.952 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.530000000000001 110.968 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.49 -179.37 16.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.677 -0.773 . . . . 72.310000000000002 112.46 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -164.18 146.92 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 72.400000000000006 110.896 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -150.63 163.72 37.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 72.140000000000001 111.167 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -114.5 157.72 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 64.519999999999996 111.103 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.63 136.54 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 54.25 111.148 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -129.15 113.02 14.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.851 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.66 179.5 6.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 61.43 111.088 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.2 -48.04 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 72.540000000000006 111.181 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -128.0 162.82 25.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.894 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.7 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 54.329999999999998 111.096 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.38 83.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 53.409999999999997 111.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 m -57.97 -35.55 71.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 111.155 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.69 40.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.019999999999996 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.36 -35.84 58.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.310000000000002 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -29.3 70.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.853 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.39 -44.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 72.099999999999994 111.145 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -53.71 -29.15 37.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 64.420000000000002 110.943 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.22 -41.47 68.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 74.400000000000006 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -78.94 -29.15 43.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.36 -26.88 65.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 74.120000000000005 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -53.65 -35.82 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 75.230000000000004 110.826 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -83.59 -40.84 18.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 53.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -62.18 -28.06 69.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 72.530000000000001 110.884 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -98.9 -20.94 16.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.463 . . . . 70.120000000000005 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.56 20.38 61.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 73.319999999999993 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.6 mt -122.26 163.92 18.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 73.540000000000006 110.947 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -121.26 45.07 2.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.874 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.93 160.94 29.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.755 . . . . 70.310000000000002 112.5 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -100.43 121.49 41.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 72.219999999999999 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -90.86 149.61 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 72.420000000000002 110.945 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 p -149.81 136.52 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.155 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -86.26 129.34 34.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.887 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -117.33 79.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 110.839 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.11 -24.3 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.530000000000001 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.64 -36.21 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.25 111.133 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.7 p -132.37 15.25 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 63.409999999999997 111.146 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt 51.64 49.51 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.549999999999997 110.879 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.451 HG23 ' HB3' ' A' ' 4' ' ' LYS . 27.3 m -140.49 149.02 41.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 73.530000000000001 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -96.95 116.3 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 73.450000000000003 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -94.46 133.29 38.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.185 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.8 t -116.7 102.77 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 43.229999999999997 111.17 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.7 m -106.1 101.88 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 72.510000000000005 111.126 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 71.099999999999994 110.883 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.1 m -108.91 118.92 38.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 61.450000000000003 111.118 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.47 170.91 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.7 149.84 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 64.340000000000003 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.54 128.69 46.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.129999999999995 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 tp -125.75 142.68 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.213 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 mm -111.55 133.9 55.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.319999999999993 111.146 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -115.95 76.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.109999999999999 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.35 174.23 32.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.47 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -26.95 15.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.381 . . . . 72.439999999999998 110.924 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -132.26 -47.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 111.166 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp -108.89 103.85 12.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 71.25 110.926 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.21 173.58 11.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.903 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.84 -157.63 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 72.310000000000002 112.459 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.5 135.06 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 72.400000000000006 110.909 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.9 p -135.14 -177.22 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 72.140000000000001 111.213 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.18 158.17 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 64.519999999999996 111.157 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.9 114.34 16.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.213 -0.449 . . . . 54.25 111.134 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -128.37 103.8 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.906 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -133.08 179.82 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 61.43 111.11 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -81.19 -47.74 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 72.540000000000006 111.183 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -127.79 161.96 27.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.899 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.46 -36.57 66.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 54.329999999999998 111.087 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.47 76.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 53.409999999999997 111.067 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.451 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 24.9 m -56.54 -33.22 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 111.171 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -25.79 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 74.019999999999996 111.076 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -75.76 -45.87 34.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.310000000000002 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -57.51 -25.97 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 25' ' ' THR . 74.8 t -83.19 -28.59 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 72.099999999999994 111.079 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -69.11 -47.73 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 64.420000000000002 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -55.3 -28.15 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -79.02 -34.39 43.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.948 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -33.12 69.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.941 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -53.88 -43.42 69.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.521 . . . . 75.230000000000004 110.923 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -83.42 -27.98 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 53.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.43 -47.23 73.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 110.851 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -20.94 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 70.120000000000005 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.78 19.93 77.11 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 73.319999999999993 112.514 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 40' ' ' ASP . 3.1 pp -79.91 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 73.540000000000006 110.932 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 4.9 p-10 -126.03 94.6 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 74.430000000000007 110.839 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.32 152.74 22.08 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 70.310000000000002 112.522 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.09 119.15 35.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 72.219999999999999 110.927 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -92.21 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.420000000000002 110.925 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -134.09 169.79 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.411 . . . . 73.219999999999999 111.153 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' H ' HG22 ' A' ' 44' ' ' THR . 13.3 p90 -119.2 115.54 24.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 60.140000000000001 110.959 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -102.21 80.61 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 110.932 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.62 -24.84 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 60.530000000000001 110.792 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.6 -36.67 46.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.25 111.118 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.2 p -129.91 14.17 5.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 111.101 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 51.68 53.37 12.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.857 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.1 m -144.56 148.91 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.530000000000001 111.211 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -94.61 114.44 26.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.429 . . . . 73.450000000000003 110.855 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 t -94.53 132.83 38.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 73.150000000000006 111.165 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.62 102.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 43.229999999999997 111.111 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -110.04 101.87 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.510000000000005 111.144 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 71.099999999999994 110.92 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.7 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.893 0.378 . . . . 74.219999999999999 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.4 m -112.68 126.21 55.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 61.450000000000003 111.179 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -145.12 161.73 38.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.816 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.97 159.7 35.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 64.340000000000003 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.8 94.66 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 111.133 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.22 139.31 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 75.129999999999995 111.182 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 132.84 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.319999999999993 111.122 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.446 HD22 HG23 ' A' ' 55' ' ' THR . 54.0 t30 -105.48 82.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.887 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.56 172.91 50.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 71.239999999999995 112.499 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -53.0 -55.79 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 72.439999999999998 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 m -124.59 -37.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 75.420000000000002 111.174 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.19 120.42 32.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.25 110.963 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -85.51 126.48 33.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.892 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.05 155.28 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 72.310000000000002 112.421 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -153.53 132.92 12.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.989 0.423 . . . . 72.400000000000006 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.26 164.79 32.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 72.140000000000001 111.125 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -117.05 146.74 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 64.519999999999996 111.092 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.07 124.72 29.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 54.25 111.159 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -128.02 103.05 7.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 110.851 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.37 158.46 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 61.43 111.136 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.45 -26.96 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 111.187 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.81 161.48 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 73.299999999999997 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.43 -28.34 62.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 54.329999999999998 111.084 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.87 -43.84 34.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 53.409999999999997 111.064 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.2 m -53.75 -36.74 62.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.099 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.08 -26.22 43.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.019999999999996 111.09 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -76.12 -29.63 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 72.310000000000002 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.78 -27.23 68.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.79 -40.84 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 72.099999999999994 111.12 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.02 -31.19 70.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 64.420000000000002 110.866 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -60.23 -50.11 74.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 74.400000000000006 110.886 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -72.22 -26.49 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.954 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.98 -39.45 75.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.882 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.84 -42.23 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.825 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.42 -26.98 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 53.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.97 -45.23 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 72.530000000000001 110.862 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -105.89 -20.83 13.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 70.120000000000005 110.938 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.26 20.73 71.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 73.319999999999993 112.454 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 tp -104.98 160.04 15.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.804 0.335 . . . . 73.540000000000006 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -96.44 61.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 74.430000000000007 110.811 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.12 144.22 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 70.310000000000002 112.453 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -98.8 113.2 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 72.219999999999999 110.906 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.35 151.68 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 72.420000000000002 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -145.83 167.78 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 73.219999999999999 111.088 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -114.65 117.79 31.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 60.140000000000001 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.78 79.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 74.420000000000002 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -57.93 -23.22 52.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 60.530000000000001 110.853 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.58 -32.87 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.25 111.106 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -133.8 14.64 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 63.409999999999997 111.133 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 51.55 50.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.549999999999997 110.925 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.5 m -145.49 147.21 31.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.530000000000001 111.11 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -91.87 118.83 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.450000000000003 110.86 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.59 128.96 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 111.117 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.01 102.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 43.229999999999997 111.077 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.446 HG23 HD22 ' A' ' 8' ' ' ASN . 2.5 m -114.37 103.15 10.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 72.510000000000005 111.097 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 71.099999999999994 110.918 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 74.219999999999999 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -104.72 117.39 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 61.450000000000003 111.104 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -139.72 170.62 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 110.907 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -136.8 156.25 48.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 64.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.8 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 111.112 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 tp -111.43 133.89 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 111.155 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.06 135.11 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 111.154 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.88 96.64 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 74.109999999999999 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.01 135.43 5.13 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 71.239999999999995 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -73.91 -36.12 64.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.351 . . . . 72.439999999999998 110.845 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.2 m -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.398 . . . . 75.420000000000002 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 tp -154.87 134.13 12.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.01 136.04 45.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.530000000000001 110.923 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.58 -159.4 8.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 72.310000000000002 112.544 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -169.18 121.44 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 72.400000000000006 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.88 165.29 27.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.140000000000001 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.6 167.97 9.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 64.519999999999996 111.103 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 m -149.43 128.1 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 54.25 111.183 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -121.69 104.04 9.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.906 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.75 151.39 37.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 61.43 111.145 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -91.31 -27.64 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 72.540000000000006 111.064 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -114.26 154.6 27.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 73.299999999999997 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.78 76.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 54.329999999999998 111.083 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.97 87.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 53.409999999999997 111.105 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 29' ' ' VAL . 93.9 m -55.35 -33.76 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 111.099 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.38 -25.88 38.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 74.019999999999996 111.04 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -71.81 -46.01 59.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -60.35 -27.6 67.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.876 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 25' ' ' THR . 74.2 t -66.25 -42.93 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.099999999999994 111.073 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -74.37 -26.52 60.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 64.420000000000002 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.36 -33.87 55.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 74.400000000000006 110.868 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.08 -27.33 39.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 73.140000000000001 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.19 -26.38 61.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.871 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -52.35 -37.03 55.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 110.89 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.92 -32.28 25.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 53.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -57.36 -30.82 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 72.530000000000001 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -105.45 -20.95 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 70.120000000000005 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.1 20.08 62.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.471 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.4 mt -122.78 168.5 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 73.540000000000006 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -58.01 -73.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.881 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.72 105.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 70.310000000000002 112.487 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -96.16 122.36 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 72.219999999999999 110.905 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -93.74 145.31 24.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 72.420000000000002 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.86 168.28 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 111.203 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -114.6 118.99 35.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 110.962 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -111.0 75.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.827 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -55.74 -25.82 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 60.530000000000001 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.45 21.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.25 111.074 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -134.99 13.62 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 63.409999999999997 111.201 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 51.77 48.67 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.549999999999997 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.9 m -142.27 148.32 37.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 73.530000000000001 111.215 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -98.87 115.81 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 73.450000000000003 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.2 t -94.46 131.33 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 73.150000000000006 111.155 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.42 108.09 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 43.229999999999997 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.9 m -105.95 101.57 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.510000000000005 111.1 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 110.848 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 74.219999999999999 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.9 m -101.88 114.2 28.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 61.450000000000003 111.113 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -117.36 158.49 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.129999999999995 110.852 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -118.85 154.37 33.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 64.340000000000003 110.943 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.24 117.59 16.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 111.092 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 tp -111.76 141.12 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.102 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 mm -105.17 132.9 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.319999999999993 111.126 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -106.5 117.78 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.859 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.93 157.74 28.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 71.239999999999995 112.443 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -95.68 -33.32 12.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.902 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p -77.85 -40.42 40.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.420000000000002 111.106 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 tp -166.51 132.41 2.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 71.25 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -106.5 173.57 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 110.911 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.99 176.85 25.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 72.310000000000002 112.504 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -160.21 117.75 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 72.400000000000006 110.906 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -143.3 167.96 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 111.183 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER -129.94 147.0 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 64.519999999999996 111.167 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.82 129.98 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 54.25 111.168 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -122.93 114.74 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 110.874 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.4 -177.38 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 61.43 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.63 -47.43 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.540000000000006 111.147 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -113.93 162.56 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.299999999999997 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.39 -24.44 64.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 54.329999999999998 111.052 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.21 -32.86 44.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 53.409999999999997 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.9 m -58.1 -42.66 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 111.155 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.08 -23.64 38.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 111.126 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.43 -47.31 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.310000000000002 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -51.77 -30.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 110.876 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.0 t -83.61 -30.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 111.077 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -71.28 -34.28 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 64.420000000000002 110.815 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -72.83 -26.03 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 73.140000000000001 110.928 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -59.92 -29.67 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.918 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.28 -37.73 62.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 75.230000000000004 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -83.57 -26.26 30.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 53.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.54 -46.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.824 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -92.25 -20.89 20.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 70.120000000000005 110.893 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.88 60.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 73.319999999999993 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 39' ' ' LEU . 11.7 tp -113.27 153.72 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 73.540000000000006 110.904 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -104.24 82.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.852 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.23 159.38 19.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 70.310000000000002 112.459 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -104.3 112.31 25.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 72.219999999999999 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -80.93 140.8 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 72.420000000000002 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 166.76 20.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 73.219999999999999 111.147 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -118.86 116.05 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 60.140000000000001 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.24 83.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 110.933 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.84 -25.0 55.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.257 -0.429 . . . . 60.530000000000001 110.794 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.9 48.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.422 . . . . 73.25 111.034 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -132.03 13.63 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 63.409999999999997 111.132 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 51.62 50.92 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.549999999999997 110.857 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.5 m -137.24 147.99 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 73.530000000000001 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.19 113.76 26.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.450000000000003 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.53 117.66 30.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.150000000000006 111.107 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.58 102.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 43.229999999999997 111.141 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 m -101.18 101.65 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 72.510000000000005 111.119 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 71.099999999999994 110.906 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 74.219999999999999 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -115.01 112.0 21.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 61.450000000000003 111.115 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.38 170.86 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.852 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HD3' HG22 ' A' ' 17' ' ' THR . 3.7 tppp? -118.96 147.79 43.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.903 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.45 120.42 25.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 111.09 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.6 tp -117.15 136.45 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.129999999999995 111.068 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 mm -110.65 122.45 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 74.319999999999993 111.132 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -81.1 110.39 16.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.109999999999999 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.14 148.08 18.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 71.239999999999995 112.569 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.67 -35.65 13.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 72.439999999999998 110.9 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -89.5 -47.55 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -144.46 115.0 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.55 132.4 36.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 110.898 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.59 177.39 21.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.507 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -165.69 121.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.922 0.392 . . . . 72.400000000000006 110.854 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 p -141.86 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 72.140000000000001 111.209 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.617 HG22 ' HD3' ' A' ' 4' ' ' LYS . 79.8 p -133.59 149.2 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 64.519999999999996 111.086 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.17 129.67 42.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.14 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -118.29 115.21 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 75.329999999999998 110.923 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -136.03 162.92 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.119 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.5 t -70.15 -45.67 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 72.540000000000006 111.124 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -112.35 -179.28 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.299999999999997 110.845 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -28.19 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 54.329999999999998 111.08 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.64 -35.54 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 53.409999999999997 111.141 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.567 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 58.0 m -56.93 -36.15 69.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 73.409999999999997 111.134 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -81.14 -23.46 38.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.019999999999996 111.107 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -83.2 -28.29 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -82.14 -40.05 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.927 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 26' ' ' ALA . 8.5 p -56.77 -23.63 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 72.099999999999994 111.094 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -70.35 -22.68 62.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 64.420000000000002 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.47 26.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 110.838 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -85.88 -29.8 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.140000000000001 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.7 -28.91 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.911 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.49 -35.34 73.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 75.230000000000004 110.851 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -80.62 -26.25 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 53.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.96 -43.7 94.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.908 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.71 -20.96 18.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 70.120000000000005 110.83 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.67 20.99 62.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 73.319999999999993 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tp -106.17 153.0 22.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 73.540000000000006 110.856 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -116.91 75.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.823 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.7 -179.97 37.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 70.310000000000002 112.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -107.21 120.02 40.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 72.219999999999999 110.879 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -88.72 138.3 31.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.420000000000002 110.939 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.32 153.29 47.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.219999999999999 111.096 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -108.33 105.37 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 60.140000000000001 110.934 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.68 79.35 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 74.420000000000002 110.783 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.08 -24.47 54.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 60.530000000000001 110.904 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.49 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.05 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 p -129.44 14.34 6.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 63.409999999999997 111.128 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt 51.65 48.78 22.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 110.869 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 m -138.98 147.68 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.530000000000001 111.147 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -93.65 114.32 26.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 73.450000000000003 110.858 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -94.53 113.7 25.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 111.138 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.31 102.79 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 43.229999999999997 111.147 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.6 m -104.96 101.94 11.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 72.510000000000005 111.136 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 mtt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.872 0.368 . . . . 74.219999999999999 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.7 m -108.71 123.87 49.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.264 -0.425 . . . . 61.450000000000003 111.144 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -131.75 164.43 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HB3' HG23 ' A' ' 51' ' ' THR . 33.0 ttmt -123.26 158.53 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.902 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.15 111.0 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 73.129999999999995 111.087 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 tp -103.97 139.5 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' A' ' 54' ' ' VAL . 29.5 mm -107.84 135.86 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 111.106 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -127.4 101.03 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.27 171.16 21.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 71.239999999999995 112.528 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -90.9 -45.62 8.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 72.439999999999998 110.89 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -65.88 -52.37 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 12' ' ' LEU . 2.1 pt? -162.54 139.88 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 71.25 110.916 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.48 174.57 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.876 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.93 -153.63 6.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 72.310000000000002 112.432 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -171.28 144.53 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 72.400000000000006 110.878 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -157.29 169.1 25.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 72.140000000000001 111.101 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -127.87 146.92 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 111.112 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.24 138.19 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 54.25 111.132 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -127.43 115.37 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.329999999999998 110.844 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -137.96 146.08 42.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 61.43 111.142 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -60.19 -28.5 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 72.540000000000006 111.097 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.23 153.4 49.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.879 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -26.28 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 54.329999999999998 111.108 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.22 -35.7 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 53.409999999999997 111.088 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 29' ' ' VAL . 92.0 m -55.94 -36.76 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 111.129 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -26.65 37.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.019999999999996 111.045 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -72.57 -44.91 61.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 72.310000000000002 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -60.59 -26.98 67.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.933 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 25' ' ' THR . 65.5 t -71.75 -38.3 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 111.162 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -63.6 -26.48 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 64.420000000000002 110.918 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -63.08 -56.74 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -58.57 -26.33 63.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.957 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -83.25 -27.07 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 110.904 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -53.13 -34.75 58.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.230000000000004 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -82.96 -30.55 28.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -55.04 -45.28 75.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 72.530000000000001 110.897 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -102.37 -20.93 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 70.120000000000005 110.912 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.2 24.39 63.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 73.319999999999993 112.457 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.63 156.46 27.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 73.540000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.84 35.63 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.845 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.29 154.23 47.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 70.310000000000002 112.543 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -107.83 115.15 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.879 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -79.53 143.65 34.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -135.27 167.99 20.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 111.125 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' H ' HG22 ' A' ' 44' ' ' THR . 12.6 p90 -119.83 115.83 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 110.905 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -105.21 83.11 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 74.420000000000002 110.848 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.5 -24.95 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 60.530000000000001 110.892 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.77 -36.73 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.25 111.044 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 p -132.0 14.12 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 63.409999999999997 111.083 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.57 50.17 19.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 73.549999999999997 110.938 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 4' ' ' LYS . 29.1 m -137.35 149.11 46.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 111.11 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -94.58 115.02 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 73.450000000000003 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.46 122.85 37.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 73.150000000000006 111.142 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 7' ' ' ILE . 21.8 t -102.35 102.63 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 43.229999999999997 111.088 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -103.2 104.34 14.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 72.510000000000005 111.109 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 71.099999999999994 110.956 179.927 . . . . . . . . 0 0 . 1 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