data_2nct_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 2nct _Structure_validation_residue.Date_analyzed 2017-03-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.351 . . . . 63.340000000000003 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -58.57 -21.97 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 75.239999999999995 110.97 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.59 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 110.856 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.72 -38.18 71.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.28 -28.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 75.140000000000001 111.125 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.01 -49.07 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 111.101 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -26.55 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.209999999999994 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -55.15 -43.97 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -28.0 68.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.329999999999998 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.62 -26.08 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.510000000000005 110.914 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -80.57 -40.35 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 73.010000000000005 110.926 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 pt -62.08 -25.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 74.019999999999996 111.152 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -75.92 -58.02 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.883 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.29 -38.5 91.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 75.230000000000004 110.929 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -52.18 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.886 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.71 -28.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 72.120000000000005 111.136 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.88 -35.38 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.329999999999998 110.869 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.52 -37.69 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.040000000000006 111.121 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 111.129 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 73.239999999999995 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -58.55 -22.01 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.919 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -51.61 -57.99 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.895 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -56.74 -38.28 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.15 -28.69 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 111.153 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -50.64 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 72.439999999999998 111.162 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -83.93 -26.57 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -52.09 -53.04 47.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 75.030000000000001 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -29.51 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 74.430000000000007 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.8 32.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 110.89 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -78.38 -39.06 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 71.310000000000002 110.863 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 pt -62.03 -25.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.319999999999993 111.171 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -76.02 -58.16 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.942 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.74 -37.45 87.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.87 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -52.53 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -56.31 -27.01 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.120000000000005 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -71.72 -37.42 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.875 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -77.55 -38.18 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 74.540000000000006 111.103 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 111.076 179.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 64.099999999999994 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -58.52 -22.07 54.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -51.48 -58.12 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 70.230000000000004 110.906 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -38.2 71.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.838 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.27 -28.66 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.141 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -51.03 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.209999999999994 111.15 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.36 -27.95 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -52.7 -46.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.019999999999996 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -26.18 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.953 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -30.08 39.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 73.120000000000005 110.887 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -77.1 -41.83 40.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.994 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 pt -62.34 -26.27 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 73.530000000000001 111.14 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -74.96 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.918 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.04 -38.44 91.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.420000000000002 110.942 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -52.03 -60.32 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 75.540000000000006 110.856 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.99 -28.69 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 ttp -70.43 -38.77 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 71.530000000000001 110.95 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.27 -34.59 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.209999999999994 111.062 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.030000000000001 111.159 179.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.806 0.336 . . . . 71.519999999999996 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.7 t90 -58.68 -21.95 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.915 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.55 -58.06 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.409 . . . . 74.049999999999997 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -56.71 -38.19 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 64.209999999999994 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.25 -28.73 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 75.329999999999998 111.083 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -49.21 69.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 72.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -83.46 -28.5 28.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -52.93 -48.69 67.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 75.109999999999999 110.928 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -26.3 67.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.519999999999996 110.914 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -27.44 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 73.010000000000005 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.19 -39.27 41.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 110.933 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 pt -63.05 -25.39 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 74.099999999999994 111.126 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -74.92 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.865 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.03 -37.69 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -52.18 -61.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 110.908 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.69 -30.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 70.140000000000001 111.093 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -39.18 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.924 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mt -75.43 -35.14 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.159 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 111.143 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.753 0.311 . . . . 71.340000000000003 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.7 t90 -58.68 -21.98 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 74.530000000000001 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -51.5 -58.17 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.67 -38.23 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.420000000000002 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.22 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.540000000000006 111.123 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.05 -52.83 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 111.112 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.31 -27.43 38.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -52.27 -46.67 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -29.83 64.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -25.97 34.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.968 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -79.86 -40.28 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.913 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 pt -61.96 -25.2 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.230000000000004 111.083 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -73.76 -57.98 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 110.884 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.63 -40.64 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.549999999999997 110.912 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.01 -63.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 65.519999999999996 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.87 -25.24 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 111.202 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ttp -73.81 -35.16 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 73.340000000000003 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -80.11 -35.99 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 111.106 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 111.171 179.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 62.509999999999998 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -58.66 -21.99 55.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 75.400000000000006 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -51.55 -58.04 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.230000000000004 110.883 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.25 -28.69 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.151 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.98 -57.13 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.161 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -77.53 -26.62 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -52.72 -47.66 67.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 110.912 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 74.319999999999993 110.927 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -28.91 32.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.875 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -79.1 -38.85 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 73.019999999999996 110.932 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 pt -64.66 -26.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 74.010000000000005 111.197 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.64 -55.52 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 110.982 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.78 -39.54 93.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.904 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -51.99 -61.47 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.11 -30.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -67.98 -34.23 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.884 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -80.45 -36.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 111.145 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.25 111.122 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.332 . . . . 72.140000000000001 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.57 -21.97 54.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.976 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -51.63 -58.02 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 70.219999999999999 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.65 -38.27 71.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 72.049999999999997 110.814 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.31 -28.67 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 111.132 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -46.01 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 111.192 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -83.08 -30.66 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 64.319999999999993 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -55.05 -39.36 69.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.849 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 75.120000000000005 110.824 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -28.07 33.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -79.77 -39.12 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 74.209999999999994 110.921 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 pt -62.81 -25.95 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.239999999999995 111.151 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -75.0 -57.98 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.340000000000003 110.949 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 pp -62.89 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -52.23 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.209999999999994 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.32 -27.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 74.25 111.11 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 ttp -71.11 -36.04 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 65.400000000000006 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -79.24 -40.07 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 74.430000000000007 111.109 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 63.420000000000002 111.153 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 75.140000000000001 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -58.67 -21.99 55.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.937 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.61 -58.07 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 110.851 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.7 -38.12 71.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.38 -28.68 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 75.219999999999999 111.152 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -53.3 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 111.235 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -80.92 -26.3 36.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 73.120000000000005 110.88 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -52.03 -42.61 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.969 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -26.53 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 75.239999999999995 110.873 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -25.97 34.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.952 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -78.96 -39.89 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 pt -61.71 -25.1 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 111.101 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -77.17 -59.01 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.64 -36.82 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -52.18 -60.73 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 75.310000000000002 110.835 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.21 -31.12 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.5 -40.96 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 71.109999999999999 110.875 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.19 -36.47 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.103 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 75.420000000000002 111.121 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.787 0.327 . . . . 74.430000000000007 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.53 -22.07 54.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 110.906 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 73.150000000000006 110.877 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.77 -38.08 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.819 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.4 -28.62 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 70.5 111.135 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.1 -50.69 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 71.140000000000001 111.142 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.81 -28.55 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 74.319999999999993 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -54.06 -53.66 49.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -26.09 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.898 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -26.68 34.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.937 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -79.88 -39.8 29.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.120000000000005 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 pt -63.14 -25.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.219999999999999 111.144 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -75.36 -55.8 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.340000000000003 110.923 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.27 -38.24 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 110.985 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -52.53 -61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.049999999999997 110.878 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.96 -25.81 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 111.116 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -73.17 -35.02 66.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 55.299999999999997 110.898 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -80.86 -37.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 111.101 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.310000000000002 111.156 179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 74.109999999999999 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -58.59 -21.97 54.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 75.519999999999996 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.6 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 110.915 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.6 -38.28 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.26 -28.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 111.095 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -45.71 71.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 72.510000000000005 111.114 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.57 -28.29 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.010000000000005 110.833 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -52.98 -57.02 11.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -26.24 61.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 64.219999999999999 110.897 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -26.59 35.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 110.885 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -80.46 -41.14 24.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 71.450000000000003 110.993 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 pt -60.78 -25.71 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 71.129999999999995 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -74.85 -58.72 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 73.439999999999998 110.909 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.28 -37.27 86.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 74.349999999999994 110.878 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -52.09 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.010000000000005 110.948 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.46 -26.88 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.030000000000001 111.158 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 ttp -72.34 -37.16 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.854 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.22 -34.69 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 71.230000000000004 111.147 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.150000000000006 111.107 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.787 0.327 . . . . 72.439999999999998 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.54 -22.03 54.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 75.329999999999998 110.988 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -51.52 -58.06 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.935 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.67 -38.21 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 62.210000000000001 110.926 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.21 -28.78 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.219999999999999 111.127 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -50.16 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 111.104 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -82.56 -26.33 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 70.010000000000005 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -52.03 -46.76 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -28.99 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -26.13 34.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.905 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -80.12 -39.26 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.876 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 pt -61.85 -25.28 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 111.193 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -75.33 -58.88 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 73.239999999999995 110.821 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 75.129999999999995 110.925 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -52.09 -60.0 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.430000000000007 110.814 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -57.05 -30.85 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.450000000000003 111.123 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttp -68.4 -34.78 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.239999999999995 110.905 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -79.48 -35.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 72.019999999999996 111.107 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.146 179.827 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 74.209999999999994 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -58.59 -22.04 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 73.329999999999998 110.95 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.55 -57.99 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 75.310000000000002 110.954 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.78 -38.13 72.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.3 -28.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 111.107 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -54.05 44.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 111.115 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.16 -30.75 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -52.1 -56.5 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 73.409999999999997 110.952 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -26.44 44.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 74.540000000000006 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -31.01 32.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.976 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -76.36 -39.37 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 72.129999999999995 110.846 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 pt -64.49 -26.52 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 74.25 111.083 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -73.91 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.23 -37.7 83.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.91 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -52.62 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 70.439999999999998 110.848 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.58 -32.6 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 65.5 111.136 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 ttp -66.52 -34.86 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 75.349999999999994 110.868 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.5 mt -82.44 -34.03 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 111.141 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 55.109999999999999 111.179 179.822 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 72.219999999999999 110.863 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.51 -22.02 53.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.912 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -51.58 -58.05 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.540000000000006 110.824 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 65.329999999999998 110.877 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.29 -28.66 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.125 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -50.16 67.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -78.52 -28.46 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.010000000000005 110.868 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -54.53 -50.46 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.450000000000003 110.906 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 72.25 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.29 33.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.43 . . . . 75.530000000000001 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -77.81 -39.75 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 pt -63.47 -26.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 72.109999999999999 111.126 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -74.11 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.934 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.92 -38.87 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 110.934 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -52.07 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.209999999999994 110.87 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.47 -34.74 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 111.184 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.47 -36.82 85.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.866 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -80.18 -36.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.310000000000002 111.114 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 111.143 179.82 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.772 0.32 . . . . 65.140000000000001 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -58.67 -21.98 55.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 63.140000000000001 110.845 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -51.63 -58.06 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 65.219999999999999 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -56.67 -38.17 71.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.28 -28.7 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 111.133 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.01 -49.51 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.510000000000005 111.09 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.29 -26.52 30.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 110.895 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.3 t90 -52.79 -45.26 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.964 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -27.36 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 71.549999999999997 110.935 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -29.08 32.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.540000000000006 110.948 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -78.04 -39.56 41.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 pt -63.14 -25.4 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 111.105 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -73.27 -57.07 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.85 -37.59 84.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -52.38 -61.23 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 72.109999999999999 110.885 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.6 -30.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 73.530000000000001 111.137 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.7 ttp -68.86 -38.4 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.219999999999999 110.854 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.26 -35.61 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 65.329999999999998 111.126 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 62.530000000000001 111.141 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.776 0.322 . . . . 64.299999999999997 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.53 -22.01 54.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 74.150000000000006 110.908 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.66 -57.93 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.919 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.79 -38.17 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 70.319999999999993 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.25 -28.64 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 72.25 111.154 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -52.01 62.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 111.125 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -26.32 38.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 73.230000000000004 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -52.1 -46.54 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.891 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -26.17 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 110.888 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -26.23 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.89 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -79.82 -43.58 22.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 73.209999999999994 110.954 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 pt -60.22 -25.35 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.409999999999997 111.121 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -76.71 -58.8 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.2 -37.89 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 72.209999999999994 110.967 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -52.21 -61.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 74.099999999999994 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.33 -36.54 46.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 111.156 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttp -62.24 -38.98 91.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.140000000000001 110.891 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mt -78.49 -33.72 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 64.510000000000005 111.177 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.769 0.319 . . . . 74.420000000000002 110.849 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -58.54 -22.0 54.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.450000000000003 110.927 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.63 -57.97 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 73.200000000000003 110.908 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.79 -38.09 72.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 74.239999999999995 110.893 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.32 -28.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -52.39 60.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.299999999999997 111.152 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.99 -26.47 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 74.109999999999999 110.884 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -52.29 -45.24 65.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 74.319999999999993 110.945 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -26.25 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -26.17 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.901 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -78.97 -40.85 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 74.430000000000007 110.876 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.8 pt -62.15 -25.32 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 73.319999999999993 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -76.21 -57.65 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.841 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.69 -37.55 87.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.972 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -52.17 -62.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.009999999999998 110.87 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.76 -31.9 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 71.540000000000006 111.137 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 ttp -66.6 -42.69 86.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.109999999999999 110.914 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.61 -34.99 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 111.177 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.510000000000005 111.147 179.873 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.831 0.348 . . . . 75.239999999999995 110.91 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.58 -22.02 54.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 72.310000000000002 110.902 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.887 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.61 -38.24 71.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.31 -28.63 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 73.150000000000006 111.134 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -57.51 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 111.179 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.91 -26.21 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -52.04 -45.32 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 111.008 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -27.71 68.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.962 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.85 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 74.549999999999997 110.87 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -77.08 -40.39 46.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 74.099999999999994 110.962 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 pt -60.91 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 74.319999999999993 111.155 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -76.74 -58.9 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.901 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.29 -37.99 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.140000000000001 110.883 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -52.19 -62.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 110.885 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.71 -33.59 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 72.230000000000004 111.149 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttp -65.64 -38.35 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.310000000000002 110.908 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mt -76.93 -38.99 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 111.186 179.813 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.846 0.355 . . . . 74.209999999999994 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -58.6 -22.03 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 70.299999999999997 110.994 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -51.51 -58.08 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 110.895 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.77 -38.18 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 73.349999999999994 110.811 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.29 -28.71 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.129999999999995 111.1 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.01 -40.92 67.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 111.111 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.7 -26.41 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 74.510000000000005 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -53.13 -59.77 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.897 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -26.17 41.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 75.439999999999998 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.51 35.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.988 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -82.52 -41.54 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.915 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 pt -62.25 -26.96 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 74.310000000000002 111.086 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.72 -58.31 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 75.209999999999994 110.927 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.33 -37.63 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.901 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.1 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.907 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -58.78 -28.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttp -70.09 -33.84 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.509999999999998 110.849 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.96 -38.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 71.109999999999999 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 111.093 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 72.239999999999995 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.1 t90 -58.58 -22.13 55.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 110.852 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -51.53 -58.08 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.319999999999993 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.67 -38.19 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.26 -28.67 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 65.150000000000006 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.09 -52.34 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 111.128 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -79.9 -26.92 40.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 72.540000000000006 110.908 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -52.17 -47.36 65.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 73.200000000000003 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -26.19 68.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 73.540000000000006 110.915 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -26.64 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 74.239999999999995 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -79.94 -39.8 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.876 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 pt -60.95 -25.55 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 72.420000000000002 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.76 -58.86 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 75.450000000000003 110.898 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.44 -36.97 84.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.430000000000007 110.981 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -52.11 -62.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 75.209999999999994 110.898 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.0 -41.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 71.430000000000007 111.113 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -58.33 -35.59 72.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 74.010000000000005 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mt -82.52 -37.17 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 74.140000000000001 111.136 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 111.094 179.867 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 71.150000000000006 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -58.23 -22.38 51.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.219999999999999 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -51.6 -57.95 7.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 110.899 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.6 -38.0 71.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.319999999999993 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.47 -28.76 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 111.172 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.39 -51.13 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 70.040000000000006 111.136 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -82.01 -26.35 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.886 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -52.47 -48.05 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -27.05 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.040000000000006 110.919 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -26.23 34.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.129999999999995 110.863 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -79.08 -40.89 30.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 72.209999999999994 110.885 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.05 -24.94 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.099999999999994 111.09 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -76.18 -59.08 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.913 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.68 -37.02 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 75.349999999999994 110.855 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -52.13 -60.08 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.200000000000003 110.878 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.0 -27.27 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 72.120000000000005 111.178 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -71.63 -37.2 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 75.400000000000006 110.846 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -77.16 -38.0 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 72.25 111.135 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.833 0.349 . . . . 61.520000000000003 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -73.44 -173.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 73.540000000000006 110.903 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.04 170.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 75.129999999999995 110.831 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -61.01 178.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 73.329999999999998 110.891 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.57 89.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -27.04 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -80.1 -34.59 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.349999999999994 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.91 79.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 72.200000000000003 111.072 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -39.06 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.349999999999994 110.859 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tt -71.6 -31.87 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 73.040000000000006 110.882 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -63.71 -36.57 84.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.18 -34.24 63.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 63.340000000000003 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -58.57 -21.97 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 75.239999999999995 110.97 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.59 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 110.856 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.72 -38.18 71.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.28 -28.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 75.140000000000001 111.125 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.01 -49.07 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 111.101 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -26.55 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.209999999999994 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -55.15 -43.97 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -28.0 68.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.329999999999998 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.62 -26.08 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.510000000000005 110.914 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -80.57 -40.35 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 73.010000000000005 110.926 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 pt -62.08 -25.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 74.019999999999996 111.152 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -75.92 -58.02 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.129999999999995 110.883 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.29 -38.5 91.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 75.230000000000004 110.929 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -52.18 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.886 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.71 -28.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 72.120000000000005 111.136 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.88 -35.38 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.329999999999998 110.869 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.52 -37.69 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.040000000000006 111.121 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.41 -49.35 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 111.129 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.18 -48.86 83.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 61.299999999999997 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -54.49 -56.64 16.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 75.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -54.14 -33.15 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.933 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -28.84 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.933 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 59.2 176.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 65.439999999999998 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.030000000000001 110.879 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.4 mttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.923 0.392 . . . . 73.219999999999999 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 -67.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.908 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.4 -31.64 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.349999999999994 110.929 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 150.57 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 110.855 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 60.72 55.78 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 75.340000000000003 110.889 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -29.63 38.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 73.319999999999993 110.924 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -76.15 -33.05 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.872 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.27 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 74.310000000000002 111.133 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -77.11 -35.73 56.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 75.329999999999998 110.855 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -52.56 63.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 74.519999999999996 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -62.98 -26.23 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.927 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -73.83 -29.45 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 73.239999999999995 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -58.55 -22.01 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.919 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -51.61 -57.99 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.895 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -56.74 -38.28 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.15 -28.69 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 111.153 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -50.64 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 72.439999999999998 111.162 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -83.93 -26.57 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -52.09 -53.04 47.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 75.030000000000001 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -29.51 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 74.430000000000007 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.8 32.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 110.89 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -78.38 -39.06 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 71.310000000000002 110.863 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 pt -62.03 -25.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.319999999999993 111.171 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -76.02 -58.16 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.942 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.74 -37.45 87.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.87 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -52.53 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -56.31 -27.01 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.120000000000005 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -71.72 -37.42 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.875 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -77.55 -38.18 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 74.540000000000006 111.103 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t -54.83 -46.94 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 111.076 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.0 -41.57 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 60.100000000000001 112.492 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -56.72 -31.23 64.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -85.5 -33.8 21.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 110.883 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.34 -43.12 91.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 75.430000000000007 110.861 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 134.04 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.540000000000006 110.933 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 71.140000000000001 110.953 179.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.9 mttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 75.230000000000004 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -125.31 -45.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 72.549999999999997 110.928 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.45 67.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.949 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 140.28 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.030000000000001 110.875 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.87 -178.88 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.861 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -44.6 14.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 74.329999999999998 110.887 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -63.06 -34.27 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.926 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 55.509999999999998 111.112 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -58.7 -28.19 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.893 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.57 -47.36 81.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.140000000000001 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -59.06 -35.07 72.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.938 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.19 -28.39 66.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 64.099999999999994 110.905 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -58.52 -22.07 54.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -51.48 -58.12 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 70.230000000000004 110.906 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -38.2 71.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.838 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.27 -28.66 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.141 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -51.03 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 75.209999999999994 111.15 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.36 -27.95 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -52.7 -46.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.019999999999996 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -26.18 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.953 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -30.08 39.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 73.120000000000005 110.887 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -77.1 -41.83 40.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.994 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 pt -62.34 -26.27 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 73.530000000000001 111.14 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -74.96 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.918 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.04 -38.44 91.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.420000000000002 110.942 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -52.03 -60.32 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 75.540000000000006 110.856 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.99 -28.69 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 ttp -70.43 -38.77 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 71.530000000000001 110.95 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.27 -34.59 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.209999999999994 111.062 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.09 -44.53 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.030000000000001 111.159 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.84 -24.21 71.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 75.239999999999995 112.521 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -56.35 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 71.239999999999995 110.914 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -54.54 -32.3 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 71.109999999999999 110.921 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -29.47 58.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 110.856 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt 56.03 62.26 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.885 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.927 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 73.409999999999997 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -171.3 125.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 75.219999999999999 110.95 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -117.81 123.84 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 73.019999999999996 110.893 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -53.8 -30.09 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.340000000000003 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.44 128.4 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.019999999999996 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -35.62 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.409999999999997 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -56.57 -43.17 79.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 73.129999999999995 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.53 -35.0 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 111.137 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -40.12 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 71.040000000000006 110.836 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -34.8 71.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 65.109999999999999 110.909 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -57.57 -37.83 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 73.129999999999995 110.878 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.97 -35.14 77.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 71.519999999999996 110.955 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.7 t90 -58.68 -21.95 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.915 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.55 -58.06 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.409 . . . . 74.049999999999997 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -56.71 -38.19 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 64.209999999999994 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.25 -28.73 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 75.329999999999998 111.083 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -49.21 69.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 72.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -83.46 -28.5 28.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -52.93 -48.69 67.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 75.109999999999999 110.928 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -26.3 67.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.519999999999996 110.914 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -27.44 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 73.010000000000005 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.19 -39.27 41.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 110.933 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 pt -63.05 -25.39 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 74.099999999999994 111.126 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -74.92 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.865 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.03 -37.69 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -52.18 -61.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 110.908 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.69 -30.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 70.140000000000001 111.093 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -39.18 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.924 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mt -75.43 -35.14 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.159 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.08 -43.81 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 111.143 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -27.18 60.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 72.310000000000002 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -66.63 -49.8 65.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 74.329999999999998 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -68.22 -51.37 46.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 75.439999999999998 110.903 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -26.11 55.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 110.915 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 57.9 85.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 75.430000000000007 110.892 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 tptp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.894 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 70.209999999999994 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tptt 55.86 91.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 75.510000000000005 110.926 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 61.27 99.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 73.349999999999994 110.917 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -64.44 -58.88 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.030000000000001 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.4 171.4 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 73.299999999999997 110.902 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -35.88 26.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 75.209999999999994 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -73.38 -30.45 63.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.18 -44.88 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.039999999999999 111.062 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -72.94 -34.09 66.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.349999999999994 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -65.12 -55.69 17.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 74.010000000000005 110.916 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.61 -27.87 51.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 74.319999999999993 110.897 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -67.53 -27.78 67.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 71.340000000000003 110.951 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.7 t90 -58.68 -21.98 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 74.530000000000001 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -51.5 -58.17 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.67 -38.23 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.420000000000002 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.22 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.540000000000006 111.123 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.05 -52.83 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 111.112 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.31 -27.43 38.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -52.27 -46.67 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -29.83 64.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -25.97 34.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.968 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -79.86 -40.28 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.913 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 pt -61.96 -25.2 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.230000000000004 111.083 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -73.76 -57.98 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 110.884 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.63 -40.64 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 74.549999999999997 110.912 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.01 -63.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 65.519999999999996 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.87 -25.24 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 111.202 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ttp -73.81 -35.16 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 73.340000000000003 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -80.11 -35.99 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 111.106 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.4 t -57.74 -47.48 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 111.171 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.0 -38.54 89.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 75.200000000000003 112.485 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -63.72 -31.98 73.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 74.540000000000006 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -81.35 -33.16 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.549999999999997 110.916 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -43.63 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.129999999999995 110.924 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 100.28 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.933 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 72.340000000000003 110.963 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.341 . . . . 73.340000000000003 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt 52.67 38.63 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.869 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 169.56 12.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.917 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt 59.85 177.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.861 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.62 28.86 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 71.219999999999999 110.787 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -76.72 -30.46 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 71.209999999999994 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -77.82 -28.29 50.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.07 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 73.310000000000002 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 t -52.39 -49.78 63.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.420000000000002 110.942 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tt -52.13 -60.05 3.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 71.120000000000005 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -56.76 -36.69 70.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -27.35 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 62.509999999999998 110.867 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -58.66 -21.99 55.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 75.400000000000006 110.918 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -51.55 -58.04 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.230000000000004 110.883 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.25 -28.69 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.151 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.98 -57.13 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.161 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -77.53 -26.62 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -52.72 -47.66 67.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 110.912 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 74.319999999999993 110.927 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -28.91 32.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.875 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -79.1 -38.85 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 73.019999999999996 110.932 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 pt -64.66 -26.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 74.010000000000005 111.197 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.64 -55.52 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 110.982 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.78 -39.54 93.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.904 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -51.99 -61.47 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.11 -30.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -67.98 -34.23 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.884 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -80.45 -36.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 111.145 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.29 -43.96 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.25 111.122 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.91 -32.63 56.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 75.109999999999999 112.563 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -57.26 -36.66 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 72.25 110.946 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -42.89 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.340000000000003 110.925 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -55.41 -29.56 58.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -81.5 76.47 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.907 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 110.892 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 72.439999999999998 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -97.49 -175.09 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.219999999999999 110.931 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -159.44 -67.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.865 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.22 147.94 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.916 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 59.8 96.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 74.129999999999995 110.913 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -43.22 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 73.049999999999997 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -61.07 -31.53 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 61.409999999999997 110.919 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.6 -42.7 19.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.081 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 t -61.78 -30.41 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 75.030000000000001 110.828 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -50.4 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 72.329999999999998 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.87 -28.97 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 75.200000000000003 110.956 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -26.35 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 110.84 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.57 -21.97 54.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.976 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -51.63 -58.02 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 70.219999999999999 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.65 -38.27 71.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 72.049999999999997 110.814 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.31 -28.67 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 111.132 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -46.01 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 111.192 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -83.08 -30.66 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 64.319999999999993 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -55.05 -39.36 69.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.849 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 75.120000000000005 110.824 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -28.07 33.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -79.77 -39.12 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 74.209999999999994 110.921 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 pt -62.81 -25.95 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.239999999999995 111.151 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -75.0 -57.98 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.340000000000003 110.949 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 pp -62.89 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -52.23 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.209999999999994 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.32 -27.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 74.25 111.11 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 ttp -71.11 -36.04 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 65.400000000000006 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -79.24 -40.07 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 74.430000000000007 111.109 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.97 -45.1 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 63.420000000000002 111.153 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.68 44.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 72.519999999999996 112.544 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -61.06 -35.32 76.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 75.200000000000003 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -44.88 10.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 74.230000000000004 110.918 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.3 -38.02 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 75.109999999999999 110.904 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.07 89.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.874 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 110.913 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 75.340000000000003 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -103.19 110.6 22.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 65.409999999999997 110.914 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.45 130.8 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.120000000000005 110.898 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -55.18 -69.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.049999999999997 110.948 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -79.55 119.49 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.841 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.5 -34.57 41.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 72.400000000000006 110.891 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -76.77 -26.04 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 110.921 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.54 39.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.140000000000001 111.073 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 t -56.72 -39.81 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -55.0 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 73.329999999999998 110.897 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -52.05 -40.01 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 110.922 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.06 -36.76 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.902 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -58.67 -21.99 55.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.937 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.61 -58.07 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 110.851 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.7 -38.12 71.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.38 -28.68 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 75.219999999999999 111.152 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -53.3 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 111.235 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -80.92 -26.3 36.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 73.120000000000005 110.88 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -52.03 -42.61 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.969 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -26.53 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 75.239999999999995 110.873 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -25.97 34.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.952 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -78.96 -39.89 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 pt -61.71 -25.1 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 111.101 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -77.17 -59.01 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.64 -36.82 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -52.18 -60.73 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 75.310000000000002 110.835 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.21 -31.12 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.5 -40.96 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 71.109999999999999 110.875 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.19 -36.47 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.103 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.8 t -51.81 -44.07 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 75.420000000000002 111.121 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.13 65.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 74.129999999999995 112.469 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -67.93 -55.28 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 73.319999999999993 110.929 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -53.99 -36.76 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 110.878 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -43.39 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 123.02 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 110.89 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 tttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.310000000000002 110.826 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.824 0.345 . . . . 71.109999999999999 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 57.28 83.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 71.129999999999995 110.829 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 164.18 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 72.340000000000003 110.897 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.35 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 110.909 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.77 96.57 7.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 73.409999999999997 110.861 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -37.52 62.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 74.219999999999999 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -59.58 -31.44 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 110.953 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.040000000000006 111.091 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -71.01 -39.17 72.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 65.430000000000007 110.89 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -26.8 68.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 73.109999999999999 110.931 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.43 -35.36 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.882 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -29.58 70.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.53 -22.07 54.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 110.906 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 73.150000000000006 110.877 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.77 -38.08 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.819 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.4 -28.62 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 70.5 111.135 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.1 -50.69 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 71.140000000000001 111.142 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.81 -28.55 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 74.319999999999993 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -54.06 -53.66 49.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -26.09 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.898 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -26.68 34.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.937 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -79.88 -39.8 29.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.120000000000005 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 pt -63.14 -25.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 74.219999999999999 111.144 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -75.36 -55.8 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.340000000000003 110.923 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.27 -38.24 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 110.985 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -52.53 -61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.049999999999997 110.878 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.96 -25.81 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 111.116 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -73.17 -35.02 66.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 55.299999999999997 110.898 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -80.86 -37.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 111.101 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -52.01 -43.9 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.310000000000002 111.156 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.35 28.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 71.040000000000006 112.445 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -74.09 -38.04 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 73.340000000000003 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -76.79 -32.16 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.9 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -61.98 -39.21 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.109999999999999 110.902 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -63.86 -174.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.878 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 74.420000000000002 110.908 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 71.120000000000005 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -152.69 -64.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 73.349999999999994 110.853 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.94 -39.67 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 63.32 110.934 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -54.67 -33.69 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 74.140000000000001 110.89 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.58 96.06 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.040000000000006 110.814 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -68.94 -28.91 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.854 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.3 m-90 -53.54 -34.04 56.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 74.540000000000006 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.01 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 50.530000000000001 111.103 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -67.03 -41.35 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.239999999999995 110.838 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -36.33 69.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 75.120000000000005 110.977 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -62.72 -33.47 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.924 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -31.34 70.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.109999999999999 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -58.59 -21.97 54.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 75.519999999999996 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.6 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 110.915 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.6 -38.28 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.26 -28.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 111.095 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -45.71 71.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 72.510000000000005 111.114 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.57 -28.29 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 75.010000000000005 110.833 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -52.98 -57.02 11.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -26.24 61.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 64.219999999999999 110.897 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -26.59 35.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 110.885 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -80.46 -41.14 24.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 71.450000000000003 110.993 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 pt -60.78 -25.71 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 71.129999999999995 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -74.85 -58.72 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 73.439999999999998 110.909 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.28 -37.27 86.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 74.349999999999994 110.878 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -52.09 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.010000000000005 110.948 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.46 -26.88 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.030000000000001 111.158 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 ttp -72.34 -37.16 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.854 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.22 -34.69 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 71.230000000000004 111.147 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -59.74 -44.0 92.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.150000000000006 111.107 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.49 -31.02 35.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 61.439999999999998 112.455 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -59.98 -39.33 85.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 71.010000000000005 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -39.89 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 62.340000000000003 110.897 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -33.63 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 74.010000000000005 110.862 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -109.89 130.85 55.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 73.329999999999998 110.896 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 75.109999999999999 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 75.230000000000004 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.86 97.69 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.030000000000001 110.941 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 114.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 75.140000000000001 110.932 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -59.54 -52.5 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.049999999999997 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.99 129.77 47.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 73.329999999999998 110.89 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.27 -39.75 20.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 74.349999999999994 110.941 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -61.22 -27.15 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.200000000000003 110.898 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.25 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.230000000000004 111.043 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -41.12 97.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 72.310000000000002 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.71 -31.0 59.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 72.530000000000001 110.829 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -55.02 -34.39 63.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 75.400000000000006 110.96 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 72.439999999999998 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.54 -22.03 54.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 75.329999999999998 110.988 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -51.52 -58.06 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.935 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.67 -38.21 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 62.210000000000001 110.926 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.21 -28.78 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.219999999999999 111.127 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -50.16 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 111.104 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -82.56 -26.33 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 70.010000000000005 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -52.03 -46.76 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -28.99 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -26.13 34.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.905 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -80.12 -39.26 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.876 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 pt -61.85 -25.28 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 111.193 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -75.33 -58.88 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 73.239999999999995 110.821 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 75.129999999999995 110.925 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -52.09 -60.0 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.430000000000007 110.814 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -57.05 -30.85 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.450000000000003 111.123 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttp -68.4 -34.78 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.239999999999995 110.905 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -79.48 -35.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 72.019999999999996 111.107 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.97 -45.23 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.146 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.09 97.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 73.5 112.536 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -58.0 -53.69 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 73.030000000000001 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -67.15 -26.19 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 75.409999999999997 110.835 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.34 97.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 75.200000000000003 110.894 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.46 179.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.906 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.299999999999997 110.929 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.837 0.351 . . . . 73.230000000000004 110.907 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -130.38 125.19 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mttp 62.23 169.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 61.520000000000003 110.884 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -61.56 136.13 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.049999999999997 110.928 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.7 45.34 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 74.209999999999994 110.825 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.75 -47.36 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.893 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -81.81 -28.52 33.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 74.329999999999998 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.88 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.350000000000001 111.095 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -34.75 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 74.409999999999997 110.913 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -60.82 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 75.340000000000003 110.969 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -53.12 -34.82 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.219999999999999 110.935 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.66 -32.65 74.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.209999999999994 110.909 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -58.59 -22.04 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 73.329999999999998 110.95 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.55 -57.99 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 75.310000000000002 110.954 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.78 -38.13 72.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.3 -28.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 111.107 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -54.05 44.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 111.115 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.16 -30.75 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -52.1 -56.5 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 73.409999999999997 110.952 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -26.44 44.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 74.540000000000006 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -31.01 32.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.976 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -76.36 -39.37 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 72.129999999999995 110.846 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 pt -64.49 -26.52 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 74.25 111.083 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -73.91 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.23 -37.7 83.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.91 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -52.62 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 70.439999999999998 110.848 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.58 -32.6 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 65.5 111.136 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 ttp -66.52 -34.86 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 75.349999999999994 110.868 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.5 mt -82.44 -34.03 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 111.141 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.93 -51.78 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 55.109999999999999 111.179 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.65 62.75 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.749 -0.738 . . . . 71.510000000000005 112.552 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.19 -48.6 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 73.230000000000004 110.87 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -68.48 -28.9 67.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 110.847 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -26.11 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 73.109999999999999 110.904 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 53.45 70.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 75.409999999999997 110.94 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.871 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 75.150000000000006 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -135.91 52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.510000000000005 110.87 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -143.79 154.7 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 63.420000000000002 110.902 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -66.82 125.78 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 74.099999999999994 110.841 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.88 142.36 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.219999999999999 110.839 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -27.21 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.892 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -55.84 -26.15 45.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 73.129999999999995 110.917 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.1 63.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 75.25 111.176 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.57 -40.57 20.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 54.240000000000002 110.863 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.62 -45.87 77.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 73.510000000000005 110.897 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -54.39 -39.01 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.61 -35.84 57.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 72.219999999999999 110.863 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.51 -22.02 53.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.912 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -51.58 -58.05 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.540000000000006 110.824 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 65.329999999999998 110.877 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.29 -28.66 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.125 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -50.16 67.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -78.52 -28.46 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.010000000000005 110.868 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -54.53 -50.46 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.450000000000003 110.906 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 72.25 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.29 33.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.43 . . . . 75.530000000000001 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -77.81 -39.75 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 pt -63.47 -26.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 72.109999999999999 111.126 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -74.11 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.934 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.92 -38.87 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 110.934 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -52.07 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.209999999999994 110.87 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.47 -34.74 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 111.184 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.47 -36.82 85.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.866 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -80.18 -36.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.310000000000002 111.114 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.0 t -61.76 -45.2 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 111.143 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.0 -34.43 61.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 74.319999999999993 112.481 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -65.59 -56.37 12.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 75.030000000000001 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -53.94 -40.35 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.93 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -57.74 -27.81 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm 56.33 70.05 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.299999999999997 110.891 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 72.420000000000002 110.872 179.815 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.856 0.36 . . . . 74.209999999999994 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt 62.93 163.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 75.450000000000003 110.937 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.34 -72.6 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 74.530000000000001 110.88 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 mttp 58.42 -177.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -153.26 174.86 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.030000000000001 110.858 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.08 -47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.919 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -62.77 -26.02 68.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 75.430000000000007 110.944 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.12 63.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 73.200000000000003 111.118 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -40.3 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 75.219999999999999 110.874 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.83 -32.85 60.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.340000000000003 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.4 t90 -54.32 -39.59 67.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.973 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -59.23 -33.82 71.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 65.140000000000001 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -58.67 -21.98 55.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 63.140000000000001 110.845 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -51.63 -58.06 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 65.219999999999999 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -56.67 -38.17 71.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.28 -28.7 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 111.133 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.01 -49.51 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.510000000000005 111.09 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.29 -26.52 30.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 110.895 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.3 t90 -52.79 -45.26 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.964 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -27.36 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 71.549999999999997 110.935 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -29.08 32.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.540000000000006 110.948 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -78.04 -39.56 41.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 pt -63.14 -25.4 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 111.105 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -73.27 -57.07 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.85 -37.59 84.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -52.38 -61.23 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 72.109999999999999 110.885 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.6 -30.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 73.530000000000001 111.137 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.7 ttp -68.86 -38.4 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.219999999999999 110.854 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.26 -35.61 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 65.329999999999998 111.126 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.56 -47.73 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 62.530000000000001 111.141 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.74 -51.46 56.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 54.32 112.494 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -53.9 -44.98 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 74.329999999999998 110.918 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -68.81 -32.73 72.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.952 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -29.02 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.852 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.37 33.39 18.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 74.450000000000003 110.888 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.510000000000005 110.907 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.866 0.365 . . . . 72.129999999999995 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 59.29 -174.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 110.898 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.03 63.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 63.130000000000003 110.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.861 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.1 130.63 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 110.857 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -28.35 33.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.439999999999998 110.89 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -61.77 -30.17 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.72 -42.59 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 64.239999999999995 111.041 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.08 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 110.924 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.64 -48.48 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.964 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -57.01 -43.97 82.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -61.9 -34.64 76.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 64.299999999999997 110.852 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.53 -22.01 54.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 74.150000000000006 110.908 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.66 -57.93 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.919 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.79 -38.17 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 70.319999999999993 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.25 -28.64 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 72.25 111.154 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -52.01 62.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 111.125 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -26.32 38.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 73.230000000000004 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -52.1 -46.54 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.891 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -26.17 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 110.888 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -26.23 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.89 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -79.82 -43.58 22.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 73.209999999999994 110.954 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 pt -60.22 -25.35 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.409999999999997 111.121 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -76.71 -58.8 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.2 -37.89 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 72.209999999999994 110.967 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -52.21 -61.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 74.099999999999994 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.33 -36.54 46.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 111.156 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttp -62.24 -38.98 91.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.140000000000001 110.891 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mt -78.49 -33.72 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.87 -45.3 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 64.510000000000005 111.177 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -36.02 68.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 62.409999999999997 112.531 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -62.41 -31.5 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 75.409999999999997 110.875 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -83.68 -49.22 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.040000000000006 110.885 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -41.16 87.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 75.120000000000005 110.915 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 56.96 38.44 29.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 73.150000000000006 110.921 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.935 179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.817 0.341 . . . . 71.030000000000001 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm 63.13 73.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.836 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.45 86.77 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 73.109999999999999 110.934 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 123.18 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.150000000000006 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.69 65.11 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.109999999999999 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -48.84 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 72.430000000000007 110.925 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 37.1 p90 -56.8 -28.56 61.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.901 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.37 -41.25 20.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 75.209999999999994 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.36 -44.79 90.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 74.120000000000005 110.832 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -33.49 70.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 110.956 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -59.68 -29.33 68.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.466 . . . . 73.219999999999999 110.913 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.57 -36.83 28.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.0 t90 -58.54 -22.0 54.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.450000000000003 110.927 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.63 -57.97 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 73.200000000000003 110.908 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.79 -38.09 72.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 74.239999999999995 110.893 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.32 -28.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -52.39 60.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.299999999999997 111.152 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.99 -26.47 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 74.109999999999999 110.884 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -52.29 -45.24 65.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 74.319999999999993 110.945 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -26.25 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -26.17 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.901 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -78.97 -40.85 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 74.430000000000007 110.876 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.8 pt -62.15 -25.32 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 73.319999999999993 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -76.21 -57.65 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.841 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.69 -37.55 87.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.972 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -52.17 -62.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.009999999999998 110.87 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.76 -31.9 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 71.540000000000006 111.137 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 ttp -66.6 -42.69 86.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.109999999999999 110.914 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.61 -34.99 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 111.177 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.08 -45.43 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.510000000000005 111.147 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -32.98 40.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 72.150000000000006 112.514 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -75.02 -50.98 14.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 75.420000000000002 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -59.46 -43.73 93.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.310000000000002 111.004 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -53.23 -29.58 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 72.049999999999997 110.911 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 167.71 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.933 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 75.349999999999994 110.914 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.844 0.354 . . . . 75.420000000000002 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -135.94 123.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.219999999999999 110.851 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -99.19 -29.12 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.861 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 57.57 29.44 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 165.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 72.049999999999997 110.804 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -26.85 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 75.209999999999994 110.886 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -53.55 -28.35 31.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 72.25 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.16 67.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.400000000000006 111.111 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -75.82 -44.83 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 72.420000000000002 110.863 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tt -70.69 -29.47 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.934 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 73.400000000000006 110.953 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.19 -32.8 72.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 110.91 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -58.58 -22.02 54.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 72.310000000000002 110.902 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.887 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.61 -38.24 71.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.31 -28.63 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 73.150000000000006 111.134 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -57.51 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 111.179 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.91 -26.21 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -52.04 -45.32 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 111.008 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -27.71 68.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.962 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.85 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 74.549999999999997 110.87 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -77.08 -40.39 46.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 74.099999999999994 110.962 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 pt -60.91 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 74.319999999999993 111.155 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -76.74 -58.9 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.901 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.29 -37.99 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.140000000000001 110.883 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -52.19 -62.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 110.885 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.71 -33.59 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 72.230000000000004 111.149 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttp -65.64 -38.35 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.310000000000002 110.908 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mt -76.93 -38.99 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.43 -43.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 111.186 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.46 -49.01 76.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 53.310000000000002 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -54.64 -51.44 65.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 74.510000000000005 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -58.7 -37.1 75.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.925 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.14 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.319999999999993 110.961 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -77.33 163.66 26.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.861 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 71.140000000000001 110.896 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.843 0.354 . . . . 74.049999999999997 110.829 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.36 113.03 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.892 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -88.46 111.0 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 71.439999999999998 110.924 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -57.11 163.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.25 144.56 32.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 72.450000000000003 110.839 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -27.11 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 72.450000000000003 110.897 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -31.08 33.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.71 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 74.409999999999997 111.06 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -72.24 -26.53 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 75.099999999999994 110.89 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 74.430000000000007 110.95 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -54.69 -29.1 52.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 65.340000000000003 110.928 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -67.52 -28.48 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.209999999999994 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 60.5 t90 -58.6 -22.03 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 70.299999999999997 110.994 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -51.51 -58.08 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 110.895 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.77 -38.18 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 73.349999999999994 110.811 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.29 -28.71 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.129999999999995 111.1 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.01 -40.92 67.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 111.111 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.7 -26.41 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 74.510000000000005 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -53.13 -59.77 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.897 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -26.17 41.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 75.439999999999998 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.51 35.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.988 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -82.52 -41.54 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.915 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 pt -62.25 -26.96 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 74.310000000000002 111.086 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.72 -58.31 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 75.209999999999994 110.927 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.33 -37.63 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.901 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.1 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.907 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -58.78 -28.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttp -70.09 -33.84 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.509999999999998 110.849 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.96 -38.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 71.109999999999999 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.25 -44.3 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 111.093 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.97 -30.73 38.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 74.140000000000001 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -70.31 -52.49 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 71.010000000000005 110.959 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -53.35 -42.79 67.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.120000000000005 110.881 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -34.11 74.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 74.340000000000003 110.894 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -81.58 92.13 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.099999999999994 110.876 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.030000000000001 110.889 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.883 0.373 . . . . 74.420000000000002 110.908 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 57.68 53.11 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 110.975 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.79 51.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.450000000000003 110.935 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -65.54 -39.75 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.884 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -135.15 132.85 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.932 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -45.28 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -64.85 -27.08 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.918 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.09 81.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 71.329999999999998 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -32.55 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.847 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -55.98 25.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.901 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -63.47 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.934 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -27.04 62.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 72.239999999999995 110.829 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.1 t90 -58.58 -22.13 55.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 110.852 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -51.53 -58.08 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.319999999999993 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.67 -38.19 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.26 -28.67 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 65.150000000000006 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.09 -52.34 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 111.128 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -79.9 -26.92 40.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 72.540000000000006 110.908 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -52.17 -47.36 65.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 73.200000000000003 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -26.19 68.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 73.540000000000006 110.915 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -26.64 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 74.239999999999995 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -79.94 -39.8 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.876 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 pt -60.95 -25.55 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 72.420000000000002 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.76 -58.86 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 75.450000000000003 110.898 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.44 -36.97 84.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.430000000000007 110.981 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -52.11 -62.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 75.209999999999994 110.898 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.0 -41.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 71.430000000000007 111.113 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -58.33 -35.59 72.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 74.010000000000005 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mt -82.52 -37.17 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 74.140000000000001 111.136 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.4 t -61.02 -43.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 111.094 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.48 -28.35 44.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 63.420000000000002 112.491 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -77.24 -42.72 36.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 75.019999999999996 110.879 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -70.04 -39.31 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 70.299999999999997 110.909 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -42.88 78.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 73.510000000000005 110.979 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? 54.78 58.79 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 73.219999999999999 110.944 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.869 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mttm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.369 . . . . 73.219999999999999 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -93.33 132.28 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.96 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -102.46 35.49 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 74.299999999999997 110.905 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -60.72 138.89 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.49 90.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 72.450000000000003 110.954 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -65.13 -45.42 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.49 68.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 72.519999999999996 111.067 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.19 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.893 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -37.04 82.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 74.120000000000005 110.955 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -63.95 -39.36 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.898 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -30.87 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 71.150000000000006 110.892 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -58.23 -22.38 51.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.219999999999999 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -51.6 -57.95 7.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 110.899 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.6 -38.0 71.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.319999999999993 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.47 -28.76 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 111.172 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.39 -51.13 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 70.040000000000006 111.136 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -82.01 -26.35 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.886 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -52.47 -48.05 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -27.05 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.040000000000006 110.919 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -26.23 34.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.129999999999995 110.863 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -79.08 -40.89 30.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 72.209999999999994 110.885 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.05 -24.94 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.099999999999994 111.09 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -76.18 -59.08 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.913 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.68 -37.02 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 75.349999999999994 110.855 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -52.13 -60.08 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.200000000000003 110.878 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.0 -27.27 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 72.120000000000005 111.178 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -71.63 -37.2 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 75.400000000000006 110.846 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -77.16 -38.0 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 72.25 111.135 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.04 44.58 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.711 -0.757 . . . . 62.229999999999997 112.524 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -66.07 -45.0 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 73.010000000000005 110.848 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.56 -38.03 89.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 73.040000000000006 110.868 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -55.5 -32.94 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -79.78 92.35 5.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 110.836 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 70.019999999999996 110.891 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.351 . . . . 63.340000000000003 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.57 -21.97 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 71.25 110.97 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.59 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 53.340000000000003 110.856 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.72 -38.18 71.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.28 -28.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 71.140000000000001 111.125 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.01 -49.07 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 70.140000000000001 111.101 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -26.55 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.209999999999994 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -55.15 -43.97 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -28.0 68.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 71.219999999999999 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.62 -26.08 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.914 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -80.57 -40.35 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 72.030000000000001 110.926 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 pt -62.08 -25.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 64.239999999999995 111.152 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -75.92 -58.02 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 71.530000000000001 110.883 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.8 pp -63.29 -38.5 91.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 75.230000000000004 110.929 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' N ' HD12 ' A' ' 25' ' ' LEU . 30.8 t80 -52.18 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.71 -28.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 52.229999999999997 111.136 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.88 -35.38 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 63.439999999999998 110.869 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -77.52 -37.69 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 52.240000000000002 111.121 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 55.439999999999998 111.129 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 62.219999999999999 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.55 -22.01 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.919 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -51.61 -57.99 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.895 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -56.74 -38.28 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.15 -28.69 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 111.153 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.516 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.08 -50.64 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 64.140000000000001 111.162 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -83.93 -26.57 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -52.09 -53.04 47.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.5 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -29.51 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 74.430000000000007 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.8 32.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 110.89 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -78.38 -39.06 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 65.409999999999997 110.863 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 pt -62.03 -25.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.319999999999993 111.171 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -76.02 -58.16 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.942 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.8 pp -63.74 -37.45 87.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.9 t80 -52.53 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -56.31 -27.01 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 70.349999999999994 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -71.72 -37.42 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 65.239999999999995 110.875 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -77.55 -38.18 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 74.540000000000006 111.103 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 26' ' ' PHE . 76.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.030000000000001 111.076 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 64.099999999999994 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.4 t90 -58.52 -22.07 54.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.918 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -51.48 -58.12 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 70.230000000000004 110.906 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -38.2 71.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.838 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.27 -28.66 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.141 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.06 -51.03 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 111.15 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.36 -27.95 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -52.7 -46.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.019999999999996 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -26.18 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.953 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -30.08 39.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 72.140000000000001 110.887 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -77.1 -41.83 40.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.994 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 pt -62.34 -26.27 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 111.14 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -74.96 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 75.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.1 pp -63.04 -38.44 91.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 70.129999999999995 110.942 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.697 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.8 t80 -52.03 -60.32 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 75.540000000000006 110.856 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.99 -28.69 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 ttp -70.43 -38.77 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 64.109999999999999 110.95 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -77.27 -34.59 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 111.062 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 26' ' ' PHE . 89.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.030000000000001 111.159 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.806 0.336 . . . . 71.519999999999996 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.7 t90 -58.68 -21.95 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.55 -58.06 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.409 . . . . 65.420000000000002 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -56.71 -38.19 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 64.209999999999994 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.73 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 61.200000000000003 111.083 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.02 -49.21 69.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 52.409999999999997 111.175 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -83.46 -28.5 28.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -52.93 -48.69 67.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 52.509999999999998 110.928 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -26.3 67.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 70.310000000000002 110.914 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -27.44 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 73.010000000000005 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.19 -39.27 41.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 110.933 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 pt -63.05 -25.39 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 74.099999999999994 111.126 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -74.92 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 65.140000000000001 110.865 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.6 pp -63.03 -37.69 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 110.91 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' VAL . 42.4 t80 -52.18 -61.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 110.908 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.69 -30.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.25 111.093 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -39.18 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.924 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -75.43 -35.14 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.159 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' PHE . 47.4 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.099999999999994 111.143 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.753 0.311 . . . . 71.340000000000003 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.7 t90 -58.68 -21.98 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 74.530000000000001 110.929 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -51.5 -58.17 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.019999999999996 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.67 -38.23 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.420000000000002 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.22 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.540000000000006 111.123 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.516 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.05 -52.83 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 44.340000000000003 111.112 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.31 -27.43 38.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -52.27 -46.67 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -29.83 64.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -25.97 34.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.968 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -79.86 -40.28 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.913 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 pt -61.96 -25.2 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.230000000000004 111.083 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -73.76 -57.98 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.884 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.2 pp -65.63 -40.64 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 64.319999999999993 110.912 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 21.9 t80 -52.01 -63.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 65.519999999999996 110.867 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.87 -25.24 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 111.202 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ttp -73.81 -35.16 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 63.229999999999997 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -80.11 -35.99 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.106 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 35.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 111.171 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 62.509999999999998 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.3 t90 -58.66 -21.99 55.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 75.400000000000006 110.918 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -51.55 -58.04 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.120000000000005 110.883 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.69 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 70.140000000000001 111.151 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.512 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.98 -57.13 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.161 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -77.53 -26.62 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.522 ' O ' HG23 ' A' ' 23' ' ' ILE . 69.1 t90 -52.72 -47.66 67.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.912 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.310000000000002 110.927 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -28.91 32.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.875 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -79.1 -38.85 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 72.329999999999998 110.932 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 19' ' ' TRP . 46.0 pt -64.66 -26.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 71.310000000000002 111.197 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.64 -55.52 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 110.982 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.5 pp -64.78 -39.54 93.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.904 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.9 t80 -51.99 -61.47 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.872 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.11 -30.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 61.100000000000001 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -67.98 -34.23 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 110.884 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -80.45 -36.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 26' ' ' PHE . 25.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.230000000000004 111.122 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.332 . . . . 72.140000000000001 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.57 -21.97 54.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.976 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -51.63 -58.02 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 70.219999999999999 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.65 -38.27 71.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.540000000000006 110.814 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.31 -28.67 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.132 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.97 -46.01 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 32.240000000000002 111.192 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -83.08 -30.66 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 63.25 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.564 ' O ' HG23 ' A' ' 23' ' ' ILE . 27.6 t90 -55.05 -39.36 69.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 71.109999999999999 110.824 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -28.07 33.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -79.77 -39.12 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 74.209999999999994 110.921 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 19' ' ' TRP . 48.7 pt -62.81 -25.95 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.239999999999995 111.151 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -75.0 -57.98 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 63.219999999999999 110.949 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.1 pp -62.89 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.240000000000002 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 30' ' ' VAL . 29.7 t80 -52.23 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.439999999999998 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.32 -27.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.109999999999999 111.11 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 ttp -71.11 -36.04 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 62.020000000000003 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -79.24 -40.07 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 63.399999999999999 111.109 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 26' ' ' PHE . 42.7 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 62.100000000000001 111.153 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 64.549999999999997 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.67 -21.99 55.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.937 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.61 -58.07 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 110.851 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.7 -38.12 71.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.38 -28.68 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.152 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.95 -53.3 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 111.235 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -26.3 36.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 44.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' ILE . 35.0 t90 -52.03 -42.61 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.969 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -26.53 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 52.340000000000003 110.873 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -25.97 34.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 65.219999999999999 110.952 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -78.96 -39.89 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 19' ' ' TRP . 42.1 pt -61.71 -25.1 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.101 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -77.17 -59.01 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.8 pp -62.64 -36.82 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.040000000000006 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 23.4 t80 -52.18 -60.73 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 70.530000000000001 110.835 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.21 -31.12 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.5 -40.96 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 60.119999999999997 110.875 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -74.19 -36.47 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.103 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 82.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 51.210000000000001 111.121 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.787 0.327 . . . . 74.430000000000007 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.53 -22.07 54.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.150000000000006 110.906 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 61.32 110.877 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.77 -38.08 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.819 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.4 -28.62 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 62.130000000000003 111.135 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.517 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.1 -50.69 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 50.350000000000001 111.142 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.81 -28.55 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 74.319999999999993 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -54.06 -53.66 49.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -26.09 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.898 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -26.68 34.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.937 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -79.88 -39.8 29.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.120000000000005 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 pt -63.14 -25.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 62.25 111.144 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -75.36 -55.8 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.340000000000003 110.923 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.0 pp -65.27 -38.24 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 110.985 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.4 t80 -52.53 -61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.049999999999997 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.96 -25.81 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.520000000000003 111.116 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -73.17 -35.02 66.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 52.109999999999999 110.898 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.4 mt -80.86 -37.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.230000000000004 111.101 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 54.030000000000001 111.156 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 74.109999999999999 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.511 ' CH2' HG23 ' A' ' 17' ' ' THR . 61.0 t90 -58.59 -21.97 54.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 75.519999999999996 110.907 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.6 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 63.299999999999997 110.915 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.6 -38.28 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.26 -28.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 63.119999999999997 111.095 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.511 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.03 -45.71 71.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 61.020000000000003 111.114 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.57 -28.29 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 55.340000000000003 110.833 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -52.98 -57.02 11.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -26.24 61.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 110.897 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -26.59 35.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.885 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -80.46 -41.14 24.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 71.400000000000006 110.993 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 pt -60.78 -25.71 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 71.129999999999995 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -74.85 -58.72 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 51.409999999999997 110.909 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.9 pp -63.28 -37.27 86.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 74.349999999999994 110.878 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.8 t80 -52.09 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.010000000000005 110.948 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.46 -26.88 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.030000000000001 111.158 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 ttp -72.34 -37.16 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 51.409999999999997 110.854 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -79.22 -34.69 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 54.119999999999997 111.147 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 111.107 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.787 0.327 . . . . 72.439999999999998 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.54 -22.03 54.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 75.329999999999998 110.988 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -51.52 -58.06 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 70.329999999999998 110.935 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.67 -38.21 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 51.049999999999997 110.926 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.21 -28.78 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 111.127 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.512 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -53.98 -50.16 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 51.450000000000003 111.104 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -82.56 -26.33 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 70.010000000000005 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -52.03 -46.76 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -28.99 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -26.13 34.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.905 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -80.12 -39.26 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.876 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 pt -61.85 -25.28 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 111.193 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -75.33 -58.88 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 73.239999999999995 110.821 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 75.129999999999995 110.925 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' O ' HG23 ' A' ' 30' ' ' VAL . 67.6 t80 -52.09 -60.0 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.230000000000004 110.814 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -57.05 -30.85 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.450000000000003 111.123 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttp -68.4 -34.78 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.230000000000004 110.905 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -79.48 -35.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 70.299999999999997 111.107 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 26' ' ' PHE . 67.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 63.240000000000002 111.146 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 71.310000000000002 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.59 -22.04 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 73.329999999999998 110.95 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.55 -57.99 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 75.310000000000002 110.954 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.78 -38.13 72.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.3 -28.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 71.109999999999999 111.107 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.06 -54.05 44.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 111.115 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.16 -30.75 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -52.1 -56.5 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 63.399999999999999 110.952 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -26.44 44.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 74.540000000000006 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -31.01 32.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.976 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -76.36 -39.37 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.310000000000002 110.846 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 pt -64.49 -26.52 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 61.409999999999997 111.083 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -73.91 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.23 -37.7 83.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.91 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 67.1 t80 -52.62 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 55.140000000000001 110.848 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.58 -32.6 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 65.5 111.136 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 ttp -66.52 -34.86 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 65.409999999999997 110.868 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.5 mt -82.44 -34.03 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 61.340000000000003 111.141 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 41.6 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 54.399999999999999 111.179 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 72.219999999999999 110.863 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.51 -22.02 53.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.912 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -51.58 -58.05 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 110.824 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 65.329999999999998 110.877 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.29 -28.66 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.125 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.08 -50.16 67.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 111.082 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -78.52 -28.46 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.010000000000005 110.868 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.9 t90 -54.53 -50.46 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 110.906 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 55.43 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.29 33.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.43 . . . . 75.530000000000001 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -77.81 -39.75 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' TRP . 50.2 pt -63.47 -26.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 72.109999999999999 111.126 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -74.11 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 64.329999999999998 110.934 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.92 -38.87 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 110.934 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.751 ' O ' HG23 ' A' ' 30' ' ' VAL . 53.4 t80 -52.07 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.129999999999995 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.47 -34.74 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 52.310000000000002 111.184 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.47 -36.82 85.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -80.18 -36.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.439999999999998 111.114 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 26' ' ' PHE . 38.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 51.32 111.143 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.772 0.32 . . . . 65.140000000000001 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.67 -21.98 55.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 62.109999999999999 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -51.63 -58.06 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 65.129999999999995 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -56.67 -38.17 71.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.28 -28.7 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.133 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.01 -49.51 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.510000000000005 111.09 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.29 -26.52 30.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 110.895 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.3 t90 -52.79 -45.26 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.964 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -27.36 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 71.549999999999997 110.935 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -29.08 32.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 70.420000000000002 110.948 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -78.04 -39.56 41.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 61.240000000000002 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 pt -63.14 -25.4 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 111.105 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -73.27 -57.07 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.510000000000005 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.85 -37.59 84.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.140000000000001 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 30' ' ' VAL . 88.5 t80 -52.38 -61.23 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 64.010000000000005 110.885 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.6 -30.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.7 ttp -68.86 -38.4 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 54.030000000000001 110.854 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.26 -35.61 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 65.329999999999998 111.126 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 62.530000000000001 111.141 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.776 0.322 . . . . 62.409999999999997 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.53 -22.01 54.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.908 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.66 -57.93 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.919 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.79 -38.17 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 55.229999999999997 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.64 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 71.099999999999994 111.154 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.96 -52.01 62.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 111.125 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -26.32 38.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.408 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.1 t90 -52.1 -46.54 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -26.17 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.049999999999997 110.888 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -26.23 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.89 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -79.82 -43.58 22.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 73.209999999999994 110.954 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 19' ' ' TRP . 49.4 pt -60.22 -25.35 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 63.32 111.121 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -76.71 -58.8 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.0 pp -62.2 -37.89 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 71.409999999999997 110.967 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.9 t80 -52.21 -61.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 70.409999999999997 110.878 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.33 -36.54 46.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 111.156 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttp -62.24 -38.98 91.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.140000000000001 110.891 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mt -78.49 -33.72 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 64.510000000000005 111.177 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.769 0.319 . . . . 70.030000000000001 110.849 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 17' ' ' THR . 61.0 t90 -58.54 -22.0 54.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.450000000000003 110.927 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.63 -57.97 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 73.200000000000003 110.908 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.79 -38.09 72.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 72.310000000000002 110.893 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.32 -28.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.02 -52.39 60.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 111.152 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.99 -26.47 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 61.5 110.884 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -52.29 -45.24 65.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 71.540000000000006 110.945 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -26.25 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -26.17 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 72.409999999999997 110.901 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 25' ' ' LEU . 42.5 t80 -78.97 -40.85 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 74.430000000000007 110.876 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.8 pt -62.15 -25.32 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 73.319999999999993 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -76.21 -57.65 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.841 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 22' ' ' TYR . 2.5 pp -63.69 -37.55 87.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 62.310000000000002 110.972 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' O ' HG23 ' A' ' 30' ' ' VAL . 70.1 t80 -52.17 -62.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.009999999999998 110.87 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.76 -31.9 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 71.030000000000001 111.137 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 ttp -66.6 -42.69 86.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 53.229999999999997 110.914 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.61 -34.99 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 111.177 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.510000000000005 111.147 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.831 0.348 . . . . 75.010000000000005 110.91 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.58 -22.02 54.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 71.219999999999999 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 73.099999999999994 110.887 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.61 -38.24 71.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.31 -28.63 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 71.049999999999997 111.134 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.0 -57.51 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 111.179 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.91 -26.21 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.462 ' O ' HG23 ' A' ' 23' ' ' ILE . 51.8 t90 -52.04 -45.32 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 111.008 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -27.71 68.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.450000000000003 110.962 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.85 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 74.549999999999997 110.87 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -77.08 -40.39 46.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 72.200000000000003 110.962 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 19' ' ' TRP . 44.1 pt -60.91 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 73.319999999999993 111.155 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -76.74 -58.9 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.901 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.5 pp -62.29 -37.99 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.140000000000001 110.883 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.5 t80 -52.19 -62.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 62.030000000000001 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.71 -33.59 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 64.109999999999999 111.149 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttp -65.64 -38.35 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 70.310000000000002 110.908 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mt -76.93 -38.99 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 63.299999999999997 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.5 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 111.186 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.846 0.355 . . . . 74.209999999999994 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.6 -22.03 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 65.140000000000001 110.994 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -51.51 -58.08 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 110.895 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.77 -38.18 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 73.349999999999994 110.811 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.29 -28.71 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 111.1 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.01 -40.92 67.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 111.111 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.7 -26.41 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 74.510000000000005 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -53.13 -59.77 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.897 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -26.17 41.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 64.430000000000007 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.51 35.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.988 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -82.52 -41.54 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 110.915 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 pt -62.25 -26.96 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 74.310000000000002 111.086 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.72 -58.31 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.927 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.4 pp -65.33 -37.63 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.901 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.0 t80 -52.1 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 60.210000000000001 110.907 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -58.78 -28.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttp -70.09 -33.84 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.240000000000002 110.849 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.96 -38.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 65.540000000000006 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 111.093 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 64.549999999999997 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CZ3' HG23 ' A' ' 17' ' ' THR . 61.1 t90 -58.58 -22.13 55.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 110.852 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -51.53 -58.08 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.319999999999993 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.67 -38.19 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.26 -28.67 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.219999999999999 111.134 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.09 -52.34 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 111.128 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -79.9 -26.92 40.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 72.540000000000006 110.908 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -52.17 -47.36 65.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 73.200000000000003 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -26.19 68.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.540000000000006 110.915 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -26.64 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 73.409999999999997 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -79.94 -39.8 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.876 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 pt -60.95 -25.55 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 72.120000000000005 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.76 -58.86 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 75.450000000000003 110.898 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.44 -36.97 84.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.430000000000007 110.981 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 30' ' ' VAL . 69.1 t80 -52.11 -62.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.109999999999999 110.898 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.0 -41.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 65.239999999999995 111.113 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -58.33 -35.59 72.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 73.310000000000002 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mt -82.52 -37.17 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 74.140000000000001 111.136 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 26' ' ' PHE . 43.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 111.094 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 71.150000000000006 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CZ3' HG23 ' A' ' 17' ' ' THR . 58.4 t90 -58.23 -22.38 51.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.219999999999999 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -51.6 -57.95 7.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.6 -38.0 71.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.319999999999993 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.47 -28.76 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 111.172 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -54.39 -51.13 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 64.239999999999995 111.136 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -82.01 -26.35 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.886 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -52.47 -48.05 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -27.05 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.040000000000006 110.919 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -26.23 34.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 65.049999999999997 110.863 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -79.08 -40.89 30.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 71.109999999999999 110.885 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.05 -24.94 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.09 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -76.18 -59.08 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.913 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.68 -37.02 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 74.409999999999997 110.855 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 30' ' ' VAL . 58.2 t80 -52.13 -60.08 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.430000000000007 110.878 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.0 -27.27 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 72.120000000000005 111.178 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -71.63 -37.2 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 75.400000000000006 110.846 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -77.16 -38.0 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 26' ' ' PHE . 39.3 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 72.25 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.833 0.349 . . . . 54.399999999999999 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -73.44 -173.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 73.140000000000001 110.903 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.04 170.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 73.409999999999997 110.831 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -61.01 178.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.239999999999995 110.891 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.57 89.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -27.04 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -80.1 -34.59 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 53.420000000000002 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.91 79.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 45.43 111.072 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -39.06 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.859 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tt -71.6 -31.87 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 62.030000000000001 110.882 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -63.71 -36.57 84.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.18 -34.24 63.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 63.340000000000003 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.57 -21.97 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 71.25 110.97 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.59 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 53.340000000000003 110.856 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.72 -38.18 71.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.28 -28.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 71.140000000000001 111.125 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.01 -49.07 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 70.140000000000001 111.101 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -26.55 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.209999999999994 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -55.15 -43.97 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -28.0 68.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 71.219999999999999 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.62 -26.08 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.914 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -80.57 -40.35 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 72.030000000000001 110.926 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 pt -62.08 -25.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 64.239999999999995 111.152 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -75.92 -58.02 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 71.530000000000001 110.883 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.8 pp -63.29 -38.5 91.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 75.230000000000004 110.929 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' N ' HD12 ' A' ' 25' ' ' LEU . 30.8 t80 -52.18 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.71 -28.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 52.229999999999997 111.136 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.88 -35.38 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 63.439999999999998 110.869 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -77.52 -37.69 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 52.240000000000002 111.121 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.2 t -63.41 -49.35 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 55.439999999999998 111.129 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.18 -48.86 83.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 61.299999999999997 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -54.49 -56.64 16.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 65.420000000000002 110.87 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -54.14 -33.15 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 74.349999999999994 110.933 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -28.84 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.933 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 59.2 176.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 65.439999999999998 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.879 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.4 mttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.923 0.392 . . . . 72.340000000000003 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 -67.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.908 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.4 -31.64 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.929 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 150.57 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 64.129999999999995 110.855 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 60.72 55.78 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 75.340000000000003 110.889 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -29.63 38.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 72.349999999999994 110.924 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -76.15 -33.05 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.872 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.27 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 74.310000000000002 111.133 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -77.11 -35.73 56.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 55.240000000000002 110.855 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -52.56 63.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 62.25 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -62.98 -26.23 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.927 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -73.83 -29.45 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 62.219999999999999 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.55 -22.01 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.919 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -51.61 -57.99 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.895 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -56.74 -38.28 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.15 -28.69 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 111.153 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.516 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.08 -50.64 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 64.140000000000001 111.162 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -83.93 -26.57 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -52.09 -53.04 47.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.5 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -29.51 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 74.430000000000007 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.8 32.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 110.89 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -78.38 -39.06 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 65.409999999999997 110.863 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 pt -62.03 -25.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.319999999999993 111.171 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -76.02 -58.16 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.942 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.8 pp -63.74 -37.45 87.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.9 t80 -52.53 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -56.31 -27.01 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 70.349999999999994 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -71.72 -37.42 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 65.239999999999995 110.875 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -77.55 -38.18 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 74.540000000000006 111.103 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 26' ' ' PHE . 76.2 t -54.83 -46.94 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.030000000000001 111.076 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.0 -41.57 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 53.119999999999997 112.492 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -56.72 -31.23 64.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 73.420000000000002 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -85.5 -33.8 21.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.883 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.34 -43.12 91.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 62.420000000000002 110.861 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 134.04 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.540000000000006 110.933 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 63.25 110.953 179.865 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.9 mttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 64.340000000000003 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -125.31 -45.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 72.549999999999997 110.928 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.45 67.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.949 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 140.28 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.030000000000001 110.875 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.87 -178.88 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.861 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -44.6 14.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.887 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -63.06 -34.27 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.926 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 55.509999999999998 111.112 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -58.7 -28.19 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.893 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.57 -47.36 81.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 73.230000000000004 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -59.06 -35.07 72.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.938 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.19 -28.39 66.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 64.099999999999994 110.905 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.4 t90 -58.52 -22.07 54.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.918 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -51.48 -58.12 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 70.230000000000004 110.906 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -38.2 71.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.838 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.27 -28.66 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.141 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.06 -51.03 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 111.15 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.36 -27.95 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -52.7 -46.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.019999999999996 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -26.18 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.953 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -30.08 39.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 72.140000000000001 110.887 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -77.1 -41.83 40.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.994 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 pt -62.34 -26.27 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 111.14 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -74.96 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 75.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.1 pp -63.04 -38.44 91.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 70.129999999999995 110.942 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.697 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.8 t80 -52.03 -60.32 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 75.540000000000006 110.856 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.99 -28.69 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 ttp -70.43 -38.77 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 64.109999999999999 110.95 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -77.27 -34.59 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 111.062 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 26' ' ' PHE . 89.7 t -59.09 -44.53 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.030000000000001 111.159 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.84 -24.21 71.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 62.009999999999998 112.521 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -56.35 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 71.239999999999995 110.914 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -54.54 -32.3 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 63.43 110.921 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -29.47 58.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 63.100000000000001 110.856 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt 56.03 62.26 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.885 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.927 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 73.040000000000006 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -171.3 125.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 65.540000000000006 110.95 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -117.81 123.84 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 73.019999999999996 110.893 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -53.8 -30.09 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.329999999999998 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.44 128.4 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.019999999999996 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -35.62 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 60.420000000000002 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -56.57 -43.17 79.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 73.129999999999995 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.53 -35.0 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 111.137 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -40.12 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 70.549999999999997 110.836 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -34.8 71.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 64.109999999999999 110.909 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -57.57 -37.83 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.878 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.97 -35.14 77.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 71.519999999999996 110.955 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.7 t90 -58.68 -21.95 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.55 -58.06 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.409 . . . . 65.420000000000002 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -56.71 -38.19 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 64.209999999999994 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.73 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 61.200000000000003 111.083 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.02 -49.21 69.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 52.409999999999997 111.175 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -83.46 -28.5 28.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -52.93 -48.69 67.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 52.509999999999998 110.928 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -26.3 67.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 70.310000000000002 110.914 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -27.44 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 73.010000000000005 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.19 -39.27 41.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 110.933 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 pt -63.05 -25.39 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 74.099999999999994 111.126 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -74.92 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 65.140000000000001 110.865 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.6 pp -63.03 -37.69 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 110.91 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' VAL . 42.4 t80 -52.18 -61.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 110.908 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.69 -30.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.25 111.093 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -39.18 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.924 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -75.43 -35.14 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.159 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' PHE . 47.4 t -60.08 -43.81 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.099999999999994 111.143 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -27.18 60.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 44.219999999999999 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -66.63 -49.8 65.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 74.329999999999998 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -68.22 -51.37 46.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 75.439999999999998 110.903 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -26.11 55.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 52.229999999999997 110.915 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 57.9 85.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 74.519999999999996 110.892 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 tptp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.894 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 70.209999999999994 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tptt 55.86 91.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 75.510000000000005 110.926 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 61.27 99.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 64.030000000000001 110.917 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -64.44 -58.88 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.4 171.4 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 73.299999999999997 110.902 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -35.88 26.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 75.209999999999994 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -73.38 -30.45 63.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.18 -44.88 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 43.229999999999997 111.062 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -72.94 -34.09 66.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 65.340000000000003 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -65.12 -55.69 17.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 51.25 110.916 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.61 -27.87 51.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 110.897 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -67.53 -27.78 67.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 71.340000000000003 110.951 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.7 t90 -58.68 -21.98 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 74.530000000000001 110.929 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -51.5 -58.17 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.019999999999996 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.67 -38.23 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.420000000000002 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.22 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.540000000000006 111.123 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.516 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.05 -52.83 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 44.340000000000003 111.112 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.31 -27.43 38.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -52.27 -46.67 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -29.83 64.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -25.97 34.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.968 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -79.86 -40.28 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.913 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 pt -61.96 -25.2 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.230000000000004 111.083 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -73.76 -57.98 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.884 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.2 pp -65.63 -40.64 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 64.319999999999993 110.912 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 21.9 t80 -52.01 -63.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 65.519999999999996 110.867 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.87 -25.24 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 111.202 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ttp -73.81 -35.16 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 63.229999999999997 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -80.11 -35.99 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.106 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 35.4 t -57.74 -47.48 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 111.171 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.0 -38.54 89.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 71.109999999999999 112.485 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -63.72 -31.98 73.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 70.450000000000003 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -81.35 -33.16 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.549999999999997 110.916 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -43.63 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.129999999999995 110.924 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 100.28 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 71.349999999999994 110.933 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 72.340000000000003 110.963 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.341 . . . . 73.340000000000003 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt 52.67 38.63 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.869 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 169.56 12.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.917 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt 59.85 177.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 65.420000000000002 110.861 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.62 28.86 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 71.219999999999999 110.787 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -76.72 -30.46 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.450000000000003 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -77.82 -28.29 50.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 52.340000000000003 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.07 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 73.310000000000002 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 t -52.39 -49.78 63.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.420000000000002 110.942 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tt -52.13 -60.05 3.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 71.120000000000005 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -56.76 -36.69 70.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 73.530000000000001 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -27.35 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 62.509999999999998 110.867 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.3 t90 -58.66 -21.99 55.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 75.400000000000006 110.918 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -51.55 -58.04 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.120000000000005 110.883 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.69 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 70.140000000000001 111.151 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.512 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.98 -57.13 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.161 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -77.53 -26.62 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.522 ' O ' HG23 ' A' ' 23' ' ' ILE . 69.1 t90 -52.72 -47.66 67.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.912 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.310000000000002 110.927 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -28.91 32.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.875 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -79.1 -38.85 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 72.329999999999998 110.932 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 19' ' ' TRP . 46.0 pt -64.66 -26.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 71.310000000000002 111.197 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.64 -55.52 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 110.982 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.5 pp -64.78 -39.54 93.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.904 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.9 t80 -51.99 -61.47 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.872 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.11 -30.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 61.100000000000001 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -67.98 -34.23 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 110.884 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -80.45 -36.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 26' ' ' PHE . 25.6 t -61.29 -43.96 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.230000000000004 111.122 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.91 -32.63 56.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 75.109999999999999 112.563 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -57.26 -36.66 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 72.25 110.946 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -42.89 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.925 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -55.41 -29.56 58.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -81.5 76.47 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 63.43 110.907 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.120000000000005 110.892 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 65.230000000000004 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -97.49 -175.09 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.219999999999999 110.931 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -159.44 -67.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.865 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.22 147.94 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.916 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 6.2 m-20 59.8 96.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 74.129999999999995 110.913 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -43.22 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 64.400000000000006 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -61.07 -31.53 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 55.329999999999998 110.919 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 5' ' ' ASP . . . -81.6 -42.7 19.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.081 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 t -61.78 -30.41 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 55.409999999999997 110.828 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -50.4 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 55.200000000000003 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.87 -28.97 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.439999999999998 110.956 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -26.35 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 110.84 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.57 -21.97 54.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.976 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -51.63 -58.02 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 70.219999999999999 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.65 -38.27 71.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.540000000000006 110.814 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.31 -28.67 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.132 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.97 -46.01 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 32.240000000000002 111.192 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -83.08 -30.66 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 63.25 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.564 ' O ' HG23 ' A' ' 23' ' ' ILE . 27.6 t90 -55.05 -39.36 69.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 71.109999999999999 110.824 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -28.07 33.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -79.77 -39.12 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 74.209999999999994 110.921 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 19' ' ' TRP . 48.7 pt -62.81 -25.95 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.239999999999995 111.151 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -75.0 -57.98 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 63.219999999999999 110.949 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.1 pp -62.89 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.240000000000002 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 30' ' ' VAL . 29.7 t80 -52.23 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.439999999999998 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.32 -27.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.109999999999999 111.11 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 ttp -71.11 -36.04 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 62.020000000000003 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -79.24 -40.07 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 63.399999999999999 111.109 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 26' ' ' PHE . 42.7 t -55.97 -45.1 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 62.100000000000001 111.153 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.68 44.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 72.519999999999996 112.544 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -61.06 -35.32 76.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 63.210000000000001 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -44.88 10.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 73.540000000000006 110.918 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.3 -38.02 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 64.310000000000002 110.904 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.07 89.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.874 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 110.913 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 71.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -103.19 110.6 22.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 61.32 110.914 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.45 130.8 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.120000000000005 110.898 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -55.18 -69.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.049999999999997 110.948 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -79.55 119.49 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.841 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.5 -34.57 41.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 72.040000000000006 110.891 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -76.77 -26.04 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 110.921 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.54 39.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 63.25 111.073 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 t -56.72 -39.81 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 53.509999999999998 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -55.0 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 73.329999999999998 110.897 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -52.05 -40.01 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.922 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.06 -36.76 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 64.549999999999997 110.902 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.67 -21.99 55.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.937 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.61 -58.07 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 110.851 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.7 -38.12 71.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.38 -28.68 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.152 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.95 -53.3 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 111.235 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -26.3 36.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 44.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' ILE . 35.0 t90 -52.03 -42.61 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.969 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -26.53 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 52.340000000000003 110.873 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -25.97 34.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 65.219999999999999 110.952 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -78.96 -39.89 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 19' ' ' TRP . 42.1 pt -61.71 -25.1 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.101 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -77.17 -59.01 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.8 pp -62.64 -36.82 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.040000000000006 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 23.4 t80 -52.18 -60.73 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 70.530000000000001 110.835 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.21 -31.12 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.5 -40.96 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 60.119999999999997 110.875 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -74.19 -36.47 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.103 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 82.8 t -51.81 -44.07 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 51.210000000000001 111.121 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.13 65.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 74.129999999999995 112.469 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -67.93 -55.28 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 73.319999999999993 110.929 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -53.99 -36.76 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 110.878 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -43.39 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 123.02 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 110.89 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 tttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.310000000000002 110.826 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.824 0.345 . . . . 71.109999999999999 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 57.28 83.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 70.040000000000006 110.829 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 164.18 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 71.439999999999998 110.897 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.35 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 110.909 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.77 96.57 7.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 71.310000000000002 110.861 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -37.52 62.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 74.049999999999997 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -59.58 -31.44 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 110.953 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.040000000000006 111.091 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -71.01 -39.17 72.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 61.439999999999998 110.89 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -26.8 68.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 70.340000000000003 110.931 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.43 -35.36 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.540000000000006 110.882 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -29.58 70.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.53 -22.07 54.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.150000000000006 110.906 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 61.32 110.877 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.77 -38.08 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.819 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.4 -28.62 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 62.130000000000003 111.135 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.517 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.1 -50.69 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 50.350000000000001 111.142 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.81 -28.55 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 74.319999999999993 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -54.06 -53.66 49.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -26.09 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.898 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -26.68 34.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.937 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -79.88 -39.8 29.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.120000000000005 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 pt -63.14 -25.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 62.25 111.144 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -75.36 -55.8 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.340000000000003 110.923 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.0 pp -65.27 -38.24 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 110.985 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.4 t80 -52.53 -61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.049999999999997 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.96 -25.81 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.520000000000003 111.116 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -73.17 -35.02 66.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 52.109999999999999 110.898 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.4 mt -80.86 -37.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.230000000000004 111.101 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.9 t -52.01 -43.9 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 54.030000000000001 111.156 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.35 28.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 71.040000000000006 112.445 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -74.09 -38.04 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 53.420000000000002 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -76.79 -32.16 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.9 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -61.98 -39.21 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 65.530000000000001 110.902 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -63.86 -174.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 52.219999999999999 110.878 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 72.230000000000004 110.908 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 64.25 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -152.69 -64.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 72.420000000000002 110.853 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.94 -39.67 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 63.210000000000001 110.934 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -54.67 -33.69 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 74.140000000000001 110.89 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.58 96.06 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.040000000000006 110.814 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -68.94 -28.91 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.854 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.3 m-90 -53.54 -34.04 56.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 74.540000000000006 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.01 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 45.130000000000003 111.103 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -67.03 -41.35 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.099999999999994 110.838 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -36.33 69.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 75.120000000000005 110.977 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -62.72 -33.47 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.924 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -31.34 70.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.109999999999999 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.511 ' CH2' HG23 ' A' ' 17' ' ' THR . 61.0 t90 -58.59 -21.97 54.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 75.519999999999996 110.907 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.6 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 63.299999999999997 110.915 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.6 -38.28 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.26 -28.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 63.119999999999997 111.095 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.511 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.03 -45.71 71.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 61.020000000000003 111.114 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.57 -28.29 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 55.340000000000003 110.833 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -52.98 -57.02 11.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -26.24 61.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 110.897 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -26.59 35.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.885 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -80.46 -41.14 24.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 71.400000000000006 110.993 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 pt -60.78 -25.71 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 71.129999999999995 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -74.85 -58.72 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 51.409999999999997 110.909 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.9 pp -63.28 -37.27 86.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 74.349999999999994 110.878 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.8 t80 -52.09 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.010000000000005 110.948 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.46 -26.88 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.030000000000001 111.158 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 ttp -72.34 -37.16 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 51.409999999999997 110.854 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -79.22 -34.69 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 54.119999999999997 111.147 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.4 t -59.74 -44.0 92.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 111.107 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.49 -31.02 35.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 61.439999999999998 112.455 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -59.98 -39.33 85.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 64.040000000000006 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -39.89 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 62.340000000000003 110.897 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -33.63 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.409999999999997 110.862 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -109.89 130.85 55.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 63.229999999999997 110.896 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 75.109999999999999 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 74.099999999999994 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.86 97.69 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.030000000000001 110.941 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 114.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.549999999999997 110.932 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -59.54 -52.5 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.99 129.77 47.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 73.329999999999998 110.89 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.27 -39.75 20.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 62.109999999999999 110.941 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -61.22 -27.15 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.200000000000003 110.898 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.25 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -41.12 97.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 63.43 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.71 -31.0 59.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 72.530000000000001 110.829 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -55.02 -34.39 63.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 73.129999999999995 110.96 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 72.439999999999998 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.54 -22.03 54.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 75.329999999999998 110.988 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -51.52 -58.06 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 70.329999999999998 110.935 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.67 -38.21 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 51.049999999999997 110.926 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.21 -28.78 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 111.127 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.512 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -53.98 -50.16 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 51.450000000000003 111.104 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -82.56 -26.33 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 70.010000000000005 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -52.03 -46.76 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -28.99 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -26.13 34.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.905 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -80.12 -39.26 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.876 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 pt -61.85 -25.28 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 111.193 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -75.33 -58.88 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 73.239999999999995 110.821 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 75.129999999999995 110.925 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' O ' HG23 ' A' ' 30' ' ' VAL . 67.6 t80 -52.09 -60.0 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.230000000000004 110.814 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -57.05 -30.85 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.450000000000003 111.123 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttp -68.4 -34.78 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.230000000000004 110.905 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -79.48 -35.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 70.299999999999997 111.107 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 26' ' ' PHE . 67.2 t -63.97 -45.23 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 63.240000000000002 111.146 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.09 97.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 64.420000000000002 112.536 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -58.0 -53.69 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 72.319999999999993 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -67.15 -26.19 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 75.409999999999997 110.835 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.34 97.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 73.409999999999997 110.894 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.46 179.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.906 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.299999999999997 110.929 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.837 0.351 . . . . 73.230000000000004 110.907 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -130.38 125.19 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 64.299999999999997 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mttp 62.23 169.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 54.340000000000003 110.884 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -61.56 136.13 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.049999999999997 110.928 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.7 45.34 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 73.409999999999997 110.825 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.75 -47.36 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.893 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -81.81 -28.52 33.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 74.329999999999998 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.88 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.350000000000001 111.095 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -34.75 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 74.409999999999997 110.913 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -60.82 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 75.340000000000003 110.969 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -53.12 -34.82 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.219999999999999 110.935 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.66 -32.65 74.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 71.310000000000002 110.909 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.59 -22.04 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 73.329999999999998 110.95 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.55 -57.99 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 75.310000000000002 110.954 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.78 -38.13 72.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.3 -28.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 71.109999999999999 111.107 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.06 -54.05 44.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 111.115 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.16 -30.75 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -52.1 -56.5 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 63.399999999999999 110.952 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -26.44 44.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 74.540000000000006 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -31.01 32.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.976 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -76.36 -39.37 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.310000000000002 110.846 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 pt -64.49 -26.52 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 61.409999999999997 111.083 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -73.91 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.23 -37.7 83.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.91 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 67.1 t80 -52.62 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 55.140000000000001 110.848 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.58 -32.6 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 65.5 111.136 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 ttp -66.52 -34.86 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 65.409999999999997 110.868 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.5 mt -82.44 -34.03 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 61.340000000000003 111.141 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 41.6 t -63.93 -51.78 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 54.399999999999999 111.179 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.65 62.75 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.749 -0.738 . . . . 71.510000000000005 112.552 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.19 -48.6 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 73.230000000000004 110.87 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -68.48 -28.9 67.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.149999999999999 110.847 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -26.11 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 73.109999999999999 110.904 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 53.45 70.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 60.420000000000002 110.94 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.409999999999997 110.871 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 70.319999999999993 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -135.91 52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.510000000000005 110.87 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -143.79 154.7 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 63.420000000000002 110.902 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -66.82 125.78 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 53.039999999999999 110.841 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.88 142.36 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 64.040000000000006 110.839 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -27.21 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.892 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -55.84 -26.15 45.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 72.319999999999993 110.917 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.1 63.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 75.25 111.176 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.57 -40.57 20.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 54.140000000000001 110.863 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.62 -45.87 77.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 73.510000000000005 110.897 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -54.39 -39.01 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.61 -35.84 57.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 72.219999999999999 110.863 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.51 -22.02 53.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.912 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -51.58 -58.05 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 110.824 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 65.329999999999998 110.877 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.29 -28.66 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.125 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.08 -50.16 67.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 111.082 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -78.52 -28.46 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.010000000000005 110.868 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.9 t90 -54.53 -50.46 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 110.906 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 55.43 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.29 33.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.43 . . . . 75.530000000000001 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -77.81 -39.75 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' TRP . 50.2 pt -63.47 -26.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 72.109999999999999 111.126 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -74.11 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 64.329999999999998 110.934 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.92 -38.87 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 110.934 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.751 ' O ' HG23 ' A' ' 30' ' ' VAL . 53.4 t80 -52.07 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.129999999999995 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.47 -34.74 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 52.310000000000002 111.184 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.47 -36.82 85.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -80.18 -36.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.439999999999998 111.114 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 26' ' ' PHE . 38.0 t -61.76 -45.2 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 51.32 111.143 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.0 -34.43 61.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 74.319999999999993 112.481 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -65.59 -56.37 12.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 71.5 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -53.94 -40.35 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.93 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -57.74 -27.81 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm 56.33 70.05 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.299999999999997 110.891 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.540000000000006 110.872 179.815 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.856 0.36 . . . . 74.209999999999994 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt 62.93 163.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 75.450000000000003 110.937 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.34 -72.6 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 71.510000000000005 110.88 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 mttp 58.42 -177.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 65.120000000000005 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -153.26 174.86 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.858 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.08 -47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.409999999999997 110.919 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -62.77 -26.02 68.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 75.430000000000007 110.944 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.12 63.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 51.240000000000002 111.118 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -40.3 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 75.219999999999999 110.874 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.83 -32.85 60.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.340000000000003 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.4 t90 -54.32 -39.59 67.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.973 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -59.23 -33.82 71.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 65.140000000000001 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.67 -21.98 55.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 62.109999999999999 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -51.63 -58.06 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 65.129999999999995 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -56.67 -38.17 71.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.28 -28.7 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.133 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.01 -49.51 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.510000000000005 111.09 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.29 -26.52 30.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 110.895 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.3 t90 -52.79 -45.26 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.964 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -27.36 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 71.549999999999997 110.935 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -29.08 32.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 70.420000000000002 110.948 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -78.04 -39.56 41.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 61.240000000000002 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 pt -63.14 -25.4 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 111.105 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -73.27 -57.07 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.510000000000005 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.85 -37.59 84.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.140000000000001 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 30' ' ' VAL . 88.5 t80 -52.38 -61.23 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 64.010000000000005 110.885 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.6 -30.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.7 ttp -68.86 -38.4 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 54.030000000000001 110.854 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.26 -35.61 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 65.329999999999998 111.126 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.5 t -60.56 -47.73 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 62.530000000000001 111.141 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.74 -51.46 56.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 54.32 112.494 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -53.9 -44.98 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 73.450000000000003 110.918 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -68.81 -32.73 72.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.200000000000003 110.952 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -29.02 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 65.140000000000001 110.852 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.37 33.39 18.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 73.230000000000004 110.888 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.299999999999997 110.907 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.866 0.365 . . . . 54.009999999999998 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 59.29 -174.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 62.310000000000002 110.898 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.03 63.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 63.130000000000003 110.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.861 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.1 130.63 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 110.857 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -28.35 33.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 61.119999999999997 110.89 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -61.77 -30.17 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.72 -42.59 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 61.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.08 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 110.924 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.64 -48.48 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.964 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -57.01 -43.97 82.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 73.019999999999996 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -61.9 -34.64 76.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 62.409999999999997 110.852 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.53 -22.01 54.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.908 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.66 -57.93 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.919 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.79 -38.17 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 55.229999999999997 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.64 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 71.099999999999994 111.154 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.96 -52.01 62.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 111.125 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -26.32 38.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.408 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.1 t90 -52.1 -46.54 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -26.17 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.049999999999997 110.888 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -26.23 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.89 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -79.82 -43.58 22.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 73.209999999999994 110.954 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 19' ' ' TRP . 49.4 pt -60.22 -25.35 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 63.32 111.121 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -76.71 -58.8 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.0 pp -62.2 -37.89 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 71.409999999999997 110.967 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.9 t80 -52.21 -61.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 70.409999999999997 110.878 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.33 -36.54 46.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 111.156 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttp -62.24 -38.98 91.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.140000000000001 110.891 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mt -78.49 -33.72 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.7 t -63.87 -45.3 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 64.510000000000005 111.177 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -36.02 68.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 62.409999999999997 112.531 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -62.41 -31.5 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 53.219999999999999 110.875 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -83.68 -49.22 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.230000000000004 110.885 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -41.16 87.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 110.915 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 56.96 38.44 29.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 60.140000000000001 110.921 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 110.935 179.877 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.817 0.341 . . . . 71.030000000000001 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm 63.13 73.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 52.450000000000003 110.836 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.45 86.77 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 61.140000000000001 110.934 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 123.18 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 64.319999999999993 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.69 65.11 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.109999999999999 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -48.84 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 72.430000000000007 110.925 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 37.1 p90 -56.8 -28.56 61.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.901 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.37 -41.25 20.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 43.530000000000001 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.36 -44.79 90.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 72.230000000000004 110.832 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -33.49 70.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 110.956 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -59.68 -29.33 68.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.466 . . . . 73.219999999999999 110.913 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.57 -36.83 28.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 17' ' ' THR . 61.0 t90 -58.54 -22.0 54.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.450000000000003 110.927 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.63 -57.97 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 73.200000000000003 110.908 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.79 -38.09 72.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 72.310000000000002 110.893 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.32 -28.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.02 -52.39 60.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 111.152 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.99 -26.47 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 61.5 110.884 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -52.29 -45.24 65.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 71.540000000000006 110.945 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -26.25 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -26.17 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 72.409999999999997 110.901 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 25' ' ' LEU . 42.5 t80 -78.97 -40.85 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 74.430000000000007 110.876 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.8 pt -62.15 -25.32 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 73.319999999999993 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -76.21 -57.65 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.841 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 22' ' ' TYR . 2.5 pp -63.69 -37.55 87.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 62.310000000000002 110.972 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' O ' HG23 ' A' ' 30' ' ' VAL . 70.1 t80 -52.17 -62.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.009999999999998 110.87 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.76 -31.9 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 71.030000000000001 111.137 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 ttp -66.6 -42.69 86.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 53.229999999999997 110.914 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.61 -34.99 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 111.177 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.8 t -64.08 -45.43 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.510000000000005 111.147 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -32.98 40.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 43.219999999999999 112.514 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -75.02 -50.98 14.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 74.239999999999995 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -59.46 -43.73 93.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.310000000000002 111.004 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -53.23 -29.58 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 71.400000000000006 110.911 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 167.71 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 70.430000000000007 110.933 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.340000000000003 110.914 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.844 0.354 . . . . 75.420000000000002 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -135.94 123.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 54.329999999999998 110.851 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -99.19 -29.12 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.861 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 57.57 29.44 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 165.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 72.049999999999997 110.804 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -26.85 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 72.120000000000005 110.886 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -53.55 -28.35 31.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 72.25 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.16 67.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.400000000000006 111.111 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -75.82 -44.83 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 72.420000000000002 110.863 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tt -70.69 -29.47 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.934 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 73.400000000000006 110.953 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.19 -32.8 72.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 75.010000000000005 110.91 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.58 -22.02 54.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 71.219999999999999 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 73.099999999999994 110.887 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.61 -38.24 71.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.31 -28.63 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 71.049999999999997 111.134 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.0 -57.51 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 111.179 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.91 -26.21 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.462 ' O ' HG23 ' A' ' 23' ' ' ILE . 51.8 t90 -52.04 -45.32 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 111.008 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -27.71 68.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.450000000000003 110.962 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.85 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 74.549999999999997 110.87 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -77.08 -40.39 46.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 72.200000000000003 110.962 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 19' ' ' TRP . 44.1 pt -60.91 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 73.319999999999993 111.155 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -76.74 -58.9 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.901 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.5 pp -62.29 -37.99 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.140000000000001 110.883 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.5 t80 -52.19 -62.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 62.030000000000001 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.71 -33.59 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 64.109999999999999 111.149 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttp -65.64 -38.35 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 70.310000000000002 110.908 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mt -76.93 -38.99 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 63.299999999999997 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.5 t -54.43 -43.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 111.186 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.46 -49.01 76.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 53.310000000000002 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -54.64 -51.44 65.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 74.510000000000005 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -58.7 -37.1 75.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.925 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.14 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.319999999999993 110.961 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -77.33 163.66 26.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.861 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 65.299999999999997 110.896 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.843 0.354 . . . . 74.049999999999997 110.829 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.36 113.03 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.892 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -88.46 111.0 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.210000000000001 110.924 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -57.11 163.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 71.299999999999997 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.25 144.56 32.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 60.329999999999998 110.839 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -27.11 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 45.009999999999998 110.897 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -31.08 33.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 70.5 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.71 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 74.409999999999997 111.06 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -72.24 -26.53 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 75.099999999999994 110.89 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 71.519999999999996 110.95 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -54.69 -29.1 52.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 65.340000000000003 110.928 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -67.52 -28.48 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.209999999999994 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.6 -22.03 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 65.140000000000001 110.994 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -51.51 -58.08 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 110.895 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.77 -38.18 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 73.349999999999994 110.811 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.29 -28.71 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 111.1 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.01 -40.92 67.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 111.111 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.7 -26.41 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 74.510000000000005 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -53.13 -59.77 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.897 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -26.17 41.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 64.430000000000007 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.51 35.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.988 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -82.52 -41.54 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 110.915 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 pt -62.25 -26.96 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 74.310000000000002 111.086 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.72 -58.31 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.927 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.4 pp -65.33 -37.63 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.901 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.0 t80 -52.1 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 60.210000000000001 110.907 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -58.78 -28.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttp -70.09 -33.84 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.240000000000002 110.849 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.96 -38.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 65.540000000000006 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.8 t -55.25 -44.3 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 111.093 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.97 -30.73 38.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 74.140000000000001 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -70.31 -52.49 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 62.420000000000002 110.959 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -53.35 -42.79 67.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.881 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -34.11 74.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 73.420000000000002 110.894 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -81.58 92.13 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.099999999999994 110.876 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 62.100000000000001 110.889 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.883 0.373 . . . . 73.25 110.908 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 57.68 53.11 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 110.975 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.79 51.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.450000000000003 110.935 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -65.54 -39.75 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.884 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -135.15 132.85 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.932 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -45.28 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 74.129999999999995 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -64.85 -27.08 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.129999999999995 110.918 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.09 81.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 71.329999999999998 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -32.55 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 71.150000000000006 110.847 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -55.98 25.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.901 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -63.47 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 72.120000000000005 110.934 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -27.04 62.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 64.549999999999997 110.829 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CZ3' HG23 ' A' ' 17' ' ' THR . 61.1 t90 -58.58 -22.13 55.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 110.852 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -51.53 -58.08 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.319999999999993 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.67 -38.19 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.26 -28.67 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.219999999999999 111.134 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.09 -52.34 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 111.128 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -79.9 -26.92 40.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 72.540000000000006 110.908 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -52.17 -47.36 65.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 73.200000000000003 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -26.19 68.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.540000000000006 110.915 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -26.64 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 73.409999999999997 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -79.94 -39.8 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.876 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 pt -60.95 -25.55 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 72.120000000000005 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.76 -58.86 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 75.450000000000003 110.898 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.44 -36.97 84.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.430000000000007 110.981 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 30' ' ' VAL . 69.1 t80 -52.11 -62.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.109999999999999 110.898 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.0 -41.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 65.239999999999995 111.113 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -58.33 -35.59 72.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 73.310000000000002 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mt -82.52 -37.17 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 74.140000000000001 111.136 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 26' ' ' PHE . 43.4 t -61.02 -43.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 111.094 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.48 -28.35 44.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 61.210000000000001 112.491 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -77.24 -42.72 36.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 75.019999999999996 110.879 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -70.04 -39.31 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 70.299999999999997 110.909 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -42.88 78.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 64.430000000000007 110.979 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? 54.78 58.79 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 73.219999999999999 110.944 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.869 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mttm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.369 . . . . 72.420000000000002 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -93.33 132.28 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.96 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -102.46 35.49 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 74.209999999999994 110.905 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -60.72 138.89 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.49 90.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.400000000000006 110.954 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -65.13 -45.42 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.49 68.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 72.420000000000002 111.067 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.19 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.893 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -37.04 82.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 64.129999999999995 110.955 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -63.95 -39.36 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.898 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -30.87 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 71.150000000000006 110.892 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CZ3' HG23 ' A' ' 17' ' ' THR . 58.4 t90 -58.23 -22.38 51.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.219999999999999 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -51.6 -57.95 7.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.6 -38.0 71.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.319999999999993 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.47 -28.76 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 111.172 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -54.39 -51.13 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 64.239999999999995 111.136 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -82.01 -26.35 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.886 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -52.47 -48.05 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -27.05 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.040000000000006 110.919 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -26.23 34.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 65.049999999999997 110.863 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -79.08 -40.89 30.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 71.109999999999999 110.885 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.05 -24.94 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.09 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -76.18 -59.08 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.913 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.68 -37.02 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 74.409999999999997 110.855 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 30' ' ' VAL . 58.2 t80 -52.13 -60.08 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.430000000000007 110.878 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.0 -27.27 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 72.120000000000005 111.178 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -71.63 -37.2 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 75.400000000000006 110.846 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -77.16 -38.0 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 26' ' ' PHE . 39.3 t -61.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 72.25 111.135 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.04 44.58 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.711 -0.757 . . . . 62.229999999999997 112.524 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -66.07 -45.0 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 72.109999999999999 110.848 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.56 -38.03 89.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 60.130000000000003 110.868 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -55.5 -32.94 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 62.340000000000003 110.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -79.78 92.35 5.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 110.836 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 62.439999999999998 110.891 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.351 . . . . 63.340000000000003 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.57 -21.97 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 71.25 110.97 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.59 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 53.340000000000003 110.856 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.72 -38.18 71.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.28 -28.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 71.140000000000001 111.125 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.01 -49.07 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 70.140000000000001 111.101 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -26.55 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.209999999999994 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -55.15 -43.97 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -28.0 68.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 71.219999999999999 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.62 -26.08 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.914 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -80.57 -40.35 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 72.030000000000001 110.926 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 pt -62.08 -25.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 64.239999999999995 111.152 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -75.92 -58.02 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 71.530000000000001 110.883 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.8 pp -63.29 -38.5 91.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 75.230000000000004 110.929 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' N ' HD12 ' A' ' 25' ' ' LEU . 30.8 t80 -52.18 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.71 -28.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 52.229999999999997 111.136 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.88 -35.38 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 63.439999999999998 110.869 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -77.52 -37.69 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 52.240000000000002 111.121 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 55.439999999999998 111.129 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 62.219999999999999 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.55 -22.01 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.919 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -51.61 -57.99 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.895 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -56.74 -38.28 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.15 -28.69 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 111.153 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.516 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.08 -50.64 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 64.140000000000001 111.162 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -83.93 -26.57 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -52.09 -53.04 47.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.5 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -29.51 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 74.430000000000007 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.8 32.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 110.89 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -78.38 -39.06 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 65.409999999999997 110.863 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 pt -62.03 -25.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.319999999999993 111.171 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -76.02 -58.16 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.942 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.8 pp -63.74 -37.45 87.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.9 t80 -52.53 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -56.31 -27.01 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 70.349999999999994 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -71.72 -37.42 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 65.239999999999995 110.875 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -77.55 -38.18 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 74.540000000000006 111.103 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 26' ' ' PHE . 76.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.030000000000001 111.076 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 64.099999999999994 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.4 t90 -58.52 -22.07 54.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.918 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -51.48 -58.12 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 70.230000000000004 110.906 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -38.2 71.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.838 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.27 -28.66 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.141 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.06 -51.03 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 111.15 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.36 -27.95 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -52.7 -46.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.019999999999996 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -26.18 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.953 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -30.08 39.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 72.140000000000001 110.887 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -77.1 -41.83 40.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.994 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 pt -62.34 -26.27 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 111.14 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -74.96 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 75.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.1 pp -63.04 -38.44 91.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 70.129999999999995 110.942 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.697 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.8 t80 -52.03 -60.32 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 75.540000000000006 110.856 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.99 -28.69 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 ttp -70.43 -38.77 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 64.109999999999999 110.95 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -77.27 -34.59 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 111.062 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 26' ' ' PHE . 89.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.030000000000001 111.159 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.806 0.336 . . . . 71.519999999999996 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.7 t90 -58.68 -21.95 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.55 -58.06 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.409 . . . . 65.420000000000002 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -56.71 -38.19 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 64.209999999999994 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.73 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 61.200000000000003 111.083 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.02 -49.21 69.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 52.409999999999997 111.175 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -83.46 -28.5 28.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -52.93 -48.69 67.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 52.509999999999998 110.928 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -26.3 67.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 70.310000000000002 110.914 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -27.44 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 73.010000000000005 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.19 -39.27 41.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 110.933 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 pt -63.05 -25.39 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 74.099999999999994 111.126 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -74.92 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 65.140000000000001 110.865 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.6 pp -63.03 -37.69 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 110.91 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' VAL . 42.4 t80 -52.18 -61.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 110.908 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.69 -30.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.25 111.093 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -39.18 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.924 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -75.43 -35.14 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.159 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' PHE . 47.4 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.099999999999994 111.143 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.753 0.311 . . . . 71.340000000000003 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.7 t90 -58.68 -21.98 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 74.530000000000001 110.929 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -51.5 -58.17 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.019999999999996 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.67 -38.23 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.420000000000002 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.22 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.540000000000006 111.123 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.516 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.05 -52.83 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 44.340000000000003 111.112 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.31 -27.43 38.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -52.27 -46.67 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -29.83 64.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -25.97 34.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.968 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -79.86 -40.28 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.913 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 pt -61.96 -25.2 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.230000000000004 111.083 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -73.76 -57.98 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.884 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.2 pp -65.63 -40.64 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 64.319999999999993 110.912 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 21.9 t80 -52.01 -63.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 65.519999999999996 110.867 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.87 -25.24 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 111.202 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ttp -73.81 -35.16 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 63.229999999999997 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -80.11 -35.99 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.106 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 35.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 111.171 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 62.509999999999998 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.3 t90 -58.66 -21.99 55.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 75.400000000000006 110.918 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -51.55 -58.04 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.120000000000005 110.883 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.69 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 70.140000000000001 111.151 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.512 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.98 -57.13 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.161 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -77.53 -26.62 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.522 ' O ' HG23 ' A' ' 23' ' ' ILE . 69.1 t90 -52.72 -47.66 67.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.912 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.310000000000002 110.927 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -28.91 32.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.875 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -79.1 -38.85 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 72.329999999999998 110.932 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 19' ' ' TRP . 46.0 pt -64.66 -26.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 71.310000000000002 111.197 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.64 -55.52 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 110.982 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.5 pp -64.78 -39.54 93.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.904 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.9 t80 -51.99 -61.47 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.872 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.11 -30.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 61.100000000000001 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -67.98 -34.23 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 110.884 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -80.45 -36.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 26' ' ' PHE . 25.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.230000000000004 111.122 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.332 . . . . 72.140000000000001 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.57 -21.97 54.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.976 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -51.63 -58.02 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 70.219999999999999 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.65 -38.27 71.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.540000000000006 110.814 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.31 -28.67 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.132 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.97 -46.01 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 32.240000000000002 111.192 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -83.08 -30.66 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 63.25 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.564 ' O ' HG23 ' A' ' 23' ' ' ILE . 27.6 t90 -55.05 -39.36 69.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 71.109999999999999 110.824 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -28.07 33.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -79.77 -39.12 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 74.209999999999994 110.921 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 19' ' ' TRP . 48.7 pt -62.81 -25.95 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.239999999999995 111.151 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -75.0 -57.98 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 63.219999999999999 110.949 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.1 pp -62.89 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.240000000000002 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 30' ' ' VAL . 29.7 t80 -52.23 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.439999999999998 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.32 -27.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.109999999999999 111.11 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 ttp -71.11 -36.04 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 62.020000000000003 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -79.24 -40.07 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 63.399999999999999 111.109 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 26' ' ' PHE . 42.7 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 62.100000000000001 111.153 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 64.549999999999997 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.67 -21.99 55.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.937 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.61 -58.07 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 110.851 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.7 -38.12 71.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.38 -28.68 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.152 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.95 -53.3 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 111.235 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -80.92 -26.3 36.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 44.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' ILE . 35.0 t90 -52.03 -42.61 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.969 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -26.53 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 52.340000000000003 110.873 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -25.97 34.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 65.219999999999999 110.952 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -78.96 -39.89 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 19' ' ' TRP . 42.1 pt -61.71 -25.1 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.101 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -77.17 -59.01 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.8 pp -62.64 -36.82 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.040000000000006 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 23.4 t80 -52.18 -60.73 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 70.530000000000001 110.835 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.21 -31.12 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.5 -40.96 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 60.119999999999997 110.875 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -74.19 -36.47 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.103 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 82.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 51.210000000000001 111.121 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.787 0.327 . . . . 74.430000000000007 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.53 -22.07 54.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.150000000000006 110.906 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 61.32 110.877 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.77 -38.08 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.819 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.4 -28.62 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 62.130000000000003 111.135 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.517 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.1 -50.69 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 50.350000000000001 111.142 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.81 -28.55 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 74.319999999999993 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -54.06 -53.66 49.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -26.09 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.898 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -26.68 34.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.937 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -79.88 -39.8 29.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.120000000000005 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 pt -63.14 -25.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 62.25 111.144 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -75.36 -55.8 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.340000000000003 110.923 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.0 pp -65.27 -38.24 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 110.985 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.4 t80 -52.53 -61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.049999999999997 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.96 -25.81 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.520000000000003 111.116 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -73.17 -35.02 66.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 52.109999999999999 110.898 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.4 mt -80.86 -37.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.230000000000004 111.101 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 54.030000000000001 111.156 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 74.109999999999999 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.511 ' CH2' HG23 ' A' ' 17' ' ' THR . 61.0 t90 -58.59 -21.97 54.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 75.519999999999996 110.907 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.6 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 63.299999999999997 110.915 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.6 -38.28 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.26 -28.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 63.119999999999997 111.095 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.511 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.03 -45.71 71.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 61.020000000000003 111.114 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.57 -28.29 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 55.340000000000003 110.833 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -52.98 -57.02 11.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -26.24 61.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 110.897 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -26.59 35.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.885 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -80.46 -41.14 24.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 71.400000000000006 110.993 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 pt -60.78 -25.71 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 71.129999999999995 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -74.85 -58.72 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 51.409999999999997 110.909 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.9 pp -63.28 -37.27 86.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 74.349999999999994 110.878 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.8 t80 -52.09 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.010000000000005 110.948 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.46 -26.88 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.030000000000001 111.158 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 ttp -72.34 -37.16 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 51.409999999999997 110.854 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -79.22 -34.69 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 54.119999999999997 111.147 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.4 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 111.107 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.787 0.327 . . . . 72.439999999999998 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.54 -22.03 54.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 75.329999999999998 110.988 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -51.52 -58.06 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 70.329999999999998 110.935 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.67 -38.21 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 51.049999999999997 110.926 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.21 -28.78 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 111.127 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.512 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -53.98 -50.16 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 51.450000000000003 111.104 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -82.56 -26.33 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 70.010000000000005 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -52.03 -46.76 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -28.99 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -26.13 34.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.905 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -80.12 -39.26 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.876 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 pt -61.85 -25.28 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 111.193 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -75.33 -58.88 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 73.239999999999995 110.821 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 75.129999999999995 110.925 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' O ' HG23 ' A' ' 30' ' ' VAL . 67.6 t80 -52.09 -60.0 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.230000000000004 110.814 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -57.05 -30.85 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.450000000000003 111.123 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttp -68.4 -34.78 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.230000000000004 110.905 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -79.48 -35.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 70.299999999999997 111.107 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 26' ' ' PHE . 67.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 63.240000000000002 111.146 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 71.310000000000002 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.59 -22.04 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 73.329999999999998 110.95 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.55 -57.99 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 75.310000000000002 110.954 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.78 -38.13 72.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.3 -28.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 71.109999999999999 111.107 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.06 -54.05 44.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 111.115 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.16 -30.75 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -52.1 -56.5 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 63.399999999999999 110.952 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -26.44 44.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 74.540000000000006 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -31.01 32.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.976 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -76.36 -39.37 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.310000000000002 110.846 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 pt -64.49 -26.52 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 61.409999999999997 111.083 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -73.91 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.23 -37.7 83.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.91 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 67.1 t80 -52.62 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 55.140000000000001 110.848 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.58 -32.6 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 65.5 111.136 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 ttp -66.52 -34.86 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 65.409999999999997 110.868 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.5 mt -82.44 -34.03 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 61.340000000000003 111.141 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 41.6 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 54.399999999999999 111.179 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.793 0.33 . . . . 72.219999999999999 110.863 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.51 -22.02 53.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.912 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -51.58 -58.05 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 110.824 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 65.329999999999998 110.877 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.29 -28.66 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.125 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.08 -50.16 67.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 111.082 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -78.52 -28.46 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.010000000000005 110.868 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.9 t90 -54.53 -50.46 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 110.906 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 55.43 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.29 33.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.43 . . . . 75.530000000000001 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -77.81 -39.75 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' TRP . 50.2 pt -63.47 -26.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 72.109999999999999 111.126 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -74.11 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 64.329999999999998 110.934 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.92 -38.87 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 110.934 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.751 ' O ' HG23 ' A' ' 30' ' ' VAL . 53.4 t80 -52.07 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.129999999999995 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.47 -34.74 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 52.310000000000002 111.184 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.47 -36.82 85.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -80.18 -36.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.439999999999998 111.114 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 26' ' ' PHE . 38.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 51.32 111.143 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.772 0.32 . . . . 65.140000000000001 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.67 -21.98 55.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 62.109999999999999 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -51.63 -58.06 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 65.129999999999995 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -56.67 -38.17 71.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.28 -28.7 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.133 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.01 -49.51 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.510000000000005 111.09 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.29 -26.52 30.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 110.895 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.3 t90 -52.79 -45.26 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.964 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -27.36 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 71.549999999999997 110.935 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -29.08 32.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 70.420000000000002 110.948 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -78.04 -39.56 41.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 61.240000000000002 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 pt -63.14 -25.4 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 111.105 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -73.27 -57.07 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.510000000000005 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.85 -37.59 84.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.140000000000001 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 30' ' ' VAL . 88.5 t80 -52.38 -61.23 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 64.010000000000005 110.885 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.6 -30.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.7 ttp -68.86 -38.4 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 54.030000000000001 110.854 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.26 -35.61 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 65.329999999999998 111.126 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 62.530000000000001 111.141 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.776 0.322 . . . . 62.409999999999997 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.53 -22.01 54.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.908 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.66 -57.93 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.919 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.79 -38.17 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 55.229999999999997 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.64 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 71.099999999999994 111.154 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.96 -52.01 62.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 111.125 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -26.32 38.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.408 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.1 t90 -52.1 -46.54 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -26.17 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.049999999999997 110.888 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -26.23 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.89 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -79.82 -43.58 22.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 73.209999999999994 110.954 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 19' ' ' TRP . 49.4 pt -60.22 -25.35 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 63.32 111.121 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -76.71 -58.8 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.0 pp -62.2 -37.89 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 71.409999999999997 110.967 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.9 t80 -52.21 -61.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 70.409999999999997 110.878 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.33 -36.54 46.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 111.156 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttp -62.24 -38.98 91.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.140000000000001 110.891 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mt -78.49 -33.72 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 64.510000000000005 111.177 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.769 0.319 . . . . 70.030000000000001 110.849 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 17' ' ' THR . 61.0 t90 -58.54 -22.0 54.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.450000000000003 110.927 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.63 -57.97 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 73.200000000000003 110.908 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.79 -38.09 72.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 72.310000000000002 110.893 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.32 -28.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.02 -52.39 60.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 111.152 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.99 -26.47 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 61.5 110.884 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -52.29 -45.24 65.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 71.540000000000006 110.945 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -26.25 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -26.17 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 72.409999999999997 110.901 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 25' ' ' LEU . 42.5 t80 -78.97 -40.85 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 74.430000000000007 110.876 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.8 pt -62.15 -25.32 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 73.319999999999993 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -76.21 -57.65 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.841 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 22' ' ' TYR . 2.5 pp -63.69 -37.55 87.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 62.310000000000002 110.972 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' O ' HG23 ' A' ' 30' ' ' VAL . 70.1 t80 -52.17 -62.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.009999999999998 110.87 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.76 -31.9 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 71.030000000000001 111.137 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 ttp -66.6 -42.69 86.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 53.229999999999997 110.914 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.61 -34.99 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 111.177 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.510000000000005 111.147 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.831 0.348 . . . . 75.010000000000005 110.91 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.58 -22.02 54.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 71.219999999999999 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 73.099999999999994 110.887 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.61 -38.24 71.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.31 -28.63 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 71.049999999999997 111.134 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.0 -57.51 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 111.179 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.91 -26.21 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.462 ' O ' HG23 ' A' ' 23' ' ' ILE . 51.8 t90 -52.04 -45.32 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 111.008 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -27.71 68.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.450000000000003 110.962 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.85 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 74.549999999999997 110.87 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -77.08 -40.39 46.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 72.200000000000003 110.962 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 19' ' ' TRP . 44.1 pt -60.91 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 73.319999999999993 111.155 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -76.74 -58.9 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.901 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.5 pp -62.29 -37.99 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.140000000000001 110.883 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.5 t80 -52.19 -62.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 62.030000000000001 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.71 -33.59 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 64.109999999999999 111.149 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttp -65.64 -38.35 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 70.310000000000002 110.908 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mt -76.93 -38.99 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 63.299999999999997 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.5 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 111.186 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.846 0.355 . . . . 74.209999999999994 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.6 -22.03 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 65.140000000000001 110.994 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -51.51 -58.08 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 110.895 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.77 -38.18 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 73.349999999999994 110.811 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.29 -28.71 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 111.1 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.01 -40.92 67.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 111.111 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.7 -26.41 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 74.510000000000005 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -53.13 -59.77 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.897 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -26.17 41.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 64.430000000000007 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.51 35.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.988 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -82.52 -41.54 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 110.915 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 pt -62.25 -26.96 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 74.310000000000002 111.086 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.72 -58.31 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.927 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.4 pp -65.33 -37.63 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.901 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.0 t80 -52.1 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 60.210000000000001 110.907 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -58.78 -28.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttp -70.09 -33.84 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.240000000000002 110.849 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.96 -38.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 65.540000000000006 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 111.093 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 64.549999999999997 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CZ3' HG23 ' A' ' 17' ' ' THR . 61.1 t90 -58.58 -22.13 55.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 110.852 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -51.53 -58.08 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.319999999999993 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.67 -38.19 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.26 -28.67 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.219999999999999 111.134 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.09 -52.34 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 111.128 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -79.9 -26.92 40.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 72.540000000000006 110.908 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -52.17 -47.36 65.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 73.200000000000003 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -26.19 68.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.540000000000006 110.915 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -26.64 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 73.409999999999997 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -79.94 -39.8 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.876 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 pt -60.95 -25.55 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 72.120000000000005 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.76 -58.86 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 75.450000000000003 110.898 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.44 -36.97 84.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.430000000000007 110.981 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 30' ' ' VAL . 69.1 t80 -52.11 -62.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.109999999999999 110.898 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.0 -41.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 65.239999999999995 111.113 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -58.33 -35.59 72.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 73.310000000000002 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mt -82.52 -37.17 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 74.140000000000001 111.136 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 26' ' ' PHE . 43.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 111.094 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 71.150000000000006 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CZ3' HG23 ' A' ' 17' ' ' THR . 58.4 t90 -58.23 -22.38 51.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.219999999999999 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -51.6 -57.95 7.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.6 -38.0 71.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.319999999999993 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.47 -28.76 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 111.172 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -54.39 -51.13 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 64.239999999999995 111.136 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -82.01 -26.35 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.886 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -52.47 -48.05 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -27.05 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.040000000000006 110.919 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -26.23 34.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 65.049999999999997 110.863 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -79.08 -40.89 30.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 71.109999999999999 110.885 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.05 -24.94 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.09 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -76.18 -59.08 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.913 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.68 -37.02 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 74.409999999999997 110.855 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 30' ' ' VAL . 58.2 t80 -52.13 -60.08 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.430000000000007 110.878 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.0 -27.27 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 72.120000000000005 111.178 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -71.63 -37.2 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 75.400000000000006 110.846 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -77.16 -38.0 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 26' ' ' PHE . 39.3 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 72.25 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.833 0.349 . . . . 54.399999999999999 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -73.44 -173.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 73.140000000000001 110.903 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.04 170.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 73.409999999999997 110.831 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -61.01 178.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.239999999999995 110.891 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.57 89.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 110.894 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -27.04 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.913 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -80.1 -34.59 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 53.420000000000002 110.918 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.91 79.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 45.43 111.072 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.67 -39.06 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.859 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tt -71.6 -31.87 67.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 62.030000000000001 110.882 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -63.71 -36.57 84.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.909 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.18 -34.24 63.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 63.340000000000003 110.926 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.57 -21.97 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 71.25 110.97 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.59 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 53.340000000000003 110.856 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.72 -38.18 71.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 110.865 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.409 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.28 -28.7 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 71.140000000000001 111.125 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.01 -49.07 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 70.140000000000001 111.101 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -26.55 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.209999999999994 110.879 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -55.15 -43.97 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -28.0 68.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 71.219999999999999 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.62 -26.08 35.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.914 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -80.57 -40.35 26.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 72.030000000000001 110.926 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 pt -62.08 -25.87 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 64.239999999999995 111.152 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -75.92 -58.02 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 71.530000000000001 110.883 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.8 pp -63.29 -38.5 91.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 75.230000000000004 110.929 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' N ' HD12 ' A' ' 25' ' ' LEU . 30.8 t80 -52.18 -61.1 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.71 -28.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 52.229999999999997 111.136 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.88 -35.38 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 63.439999999999998 110.869 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -77.52 -37.69 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 52.240000000000002 111.121 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.2 t -63.41 -49.35 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 55.439999999999998 111.129 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.18 -48.86 83.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.758 . . . . 61.299999999999997 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -54.49 -56.64 16.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 65.420000000000002 110.87 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -54.14 -33.15 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 74.349999999999994 110.933 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -28.84 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.933 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 59.2 176.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 65.439999999999998 110.923 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.879 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.4 mttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.923 0.392 . . . . 72.340000000000003 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 -67.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.908 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.4 -31.64 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.929 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 150.57 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 64.129999999999995 110.855 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 60.72 55.78 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 75.340000000000003 110.889 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.23 -29.63 38.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 72.349999999999994 110.924 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -76.15 -33.05 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.872 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.27 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 74.310000000000002 111.133 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -77.11 -35.73 56.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 55.240000000000002 110.855 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -52.56 63.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 62.25 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -62.98 -26.23 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.927 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -73.83 -29.45 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 62.219999999999999 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.55 -22.01 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 73.420000000000002 110.919 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -51.61 -57.99 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.895 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -56.74 -38.28 72.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.15 -28.69 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 111.153 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.516 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.08 -50.64 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 64.140000000000001 111.162 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -83.93 -26.57 29.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -52.09 -53.04 47.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.5 110.91 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -29.51 46.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 74.430000000000007 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.8 32.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 110.89 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -78.38 -39.06 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 65.409999999999997 110.863 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.5 pt -62.03 -25.36 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.319999999999993 111.171 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -76.02 -58.16 3.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.942 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.8 pp -63.74 -37.45 87.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.9 t80 -52.53 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -56.31 -27.01 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 70.349999999999994 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ttp -71.72 -37.42 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 65.239999999999995 110.875 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -77.55 -38.18 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.431 . . . . 74.540000000000006 111.103 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 26' ' ' PHE . 76.2 t -54.83 -46.94 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.030000000000001 111.076 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.0 -41.57 68.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 53.119999999999997 112.492 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -56.72 -31.23 64.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 73.420000000000002 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -85.5 -33.8 21.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.883 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -65.34 -43.12 91.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 62.420000000000002 110.861 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 134.04 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.540000000000006 110.933 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 63.25 110.953 179.865 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.9 mttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 64.340000000000003 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -125.31 -45.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 72.549999999999997 110.928 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.45 67.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.949 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 140.28 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.030000000000001 110.875 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.87 -178.88 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.861 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -44.6 14.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.887 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -63.06 -34.27 77.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.926 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.55 77.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 55.509999999999998 111.112 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -58.7 -28.19 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.893 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.57 -47.36 81.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 73.230000000000004 110.891 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -59.06 -35.07 72.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.938 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.19 -28.39 66.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 64.099999999999994 110.905 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.4 t90 -58.52 -22.07 54.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.918 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -51.48 -58.12 7.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 70.230000000000004 110.906 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -38.2 71.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.838 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.27 -28.66 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 111.141 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.06 -51.03 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 111.15 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.36 -27.95 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -52.7 -46.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.019999999999996 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -26.18 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.953 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -30.08 39.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 72.140000000000001 110.887 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -77.1 -41.83 40.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 110.994 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 pt -62.34 -26.27 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 111.14 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -74.96 -58.28 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 75.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.1 pp -63.04 -38.44 91.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 70.129999999999995 110.942 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.697 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.8 t80 -52.03 -60.32 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 75.540000000000006 110.856 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.99 -28.69 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 ttp -70.43 -38.77 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 64.109999999999999 110.95 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -77.27 -34.59 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 111.062 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 26' ' ' PHE . 89.7 t -59.09 -44.53 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.030000000000001 111.159 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.84 -24.21 71.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 62.009999999999998 112.521 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -56.35 4.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 71.239999999999995 110.914 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -54.54 -32.3 58.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 63.43 110.921 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -29.47 58.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 63.100000000000001 110.856 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt 56.03 62.26 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.885 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.927 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 73.040000000000006 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -171.3 125.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 65.540000000000006 110.95 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -117.81 123.84 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 73.019999999999996 110.893 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -53.8 -30.09 43.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.329999999999998 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -121.44 128.4 52.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.019999999999996 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 -35.62 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 60.420000000000002 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -56.57 -43.17 79.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 73.129999999999995 110.914 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.53 -35.0 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 111.137 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -40.12 65.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 70.549999999999997 110.836 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -34.8 71.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 64.109999999999999 110.909 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -57.57 -37.83 73.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.878 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.97 -35.14 77.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 71.519999999999996 110.955 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.7 t90 -58.68 -21.95 55.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.55 -58.06 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.409 . . . . 65.420000000000002 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -56.71 -38.19 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 64.209999999999994 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.73 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 61.200000000000003 111.083 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.02 -49.21 69.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 52.409999999999997 111.175 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -83.46 -28.5 28.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -52.93 -48.69 67.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 52.509999999999998 110.928 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -26.3 67.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 70.310000000000002 110.914 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -27.44 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 73.010000000000005 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.19 -39.27 41.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 110.933 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 pt -63.05 -25.39 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 74.099999999999994 111.126 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -74.92 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 65.140000000000001 110.865 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.6 pp -63.03 -37.69 88.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 110.91 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' VAL . 42.4 t80 -52.18 -61.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 74.150000000000006 110.908 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -56.69 -30.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 61.25 111.093 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.6 -39.18 84.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.924 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.9 mt -75.43 -35.14 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.159 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' PHE . 47.4 t -60.08 -43.81 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.099999999999994 111.143 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.35 -27.18 60.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 44.219999999999999 112.506 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -66.63 -49.8 65.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 74.329999999999998 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -68.22 -51.37 46.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 75.439999999999998 110.903 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -26.11 55.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 52.229999999999997 110.915 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 57.9 85.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 74.519999999999996 110.892 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 tptp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.530000000000001 110.894 179.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 70.209999999999994 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tptt 55.86 91.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 75.510000000000005 110.926 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mttm 61.27 99.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 64.030000000000001 110.917 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -64.44 -58.88 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.883 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.4 171.4 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 73.299999999999997 110.902 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -35.88 26.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 75.209999999999994 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -73.38 -30.45 63.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.952 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.18 -44.88 79.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 43.229999999999997 111.062 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -72.94 -34.09 66.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 65.340000000000003 110.846 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -65.12 -55.69 17.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 51.25 110.916 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.61 -27.87 51.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 71.030000000000001 110.897 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -67.53 -27.78 67.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 71.340000000000003 110.951 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.516 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.7 t90 -58.68 -21.98 55.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 74.530000000000001 110.929 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -51.5 -58.17 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.019999999999996 110.849 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -56.67 -38.23 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.420000000000002 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.22 -28.65 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.540000000000006 111.123 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.516 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.05 -52.83 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 44.340000000000003 111.112 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.31 -27.43 38.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.852 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -52.27 -46.67 65.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -29.83 64.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -25.97 34.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.968 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -79.86 -40.28 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.913 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 pt -61.96 -25.2 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.230000000000004 111.083 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -73.76 -57.98 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.884 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.2 pp -65.63 -40.64 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 64.319999999999993 110.912 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 21.9 t80 -52.01 -63.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 65.519999999999996 110.867 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.87 -25.24 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 111.202 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ttp -73.81 -35.16 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 63.229999999999997 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -80.11 -35.99 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.106 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 35.4 t -57.74 -47.48 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 111.171 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.0 -38.54 89.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 71.109999999999999 112.485 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -63.72 -31.98 73.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 70.450000000000003 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -81.35 -33.16 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.549999999999997 110.916 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -43.63 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.129999999999995 110.924 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 100.28 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 71.349999999999994 110.933 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 72.340000000000003 110.963 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.341 . . . . 73.340000000000003 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt 52.67 38.63 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.869 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 169.56 12.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.917 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt 59.85 177.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 65.420000000000002 110.861 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 56.62 28.86 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 71.219999999999999 110.787 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -76.72 -30.46 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.450000000000003 110.892 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -77.82 -28.29 50.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 52.340000000000003 110.956 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.21 -49.07 63.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 73.310000000000002 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 t -52.39 -49.78 63.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.420000000000002 110.942 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tt -52.13 -60.05 3.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 71.120000000000005 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -56.76 -36.69 70.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 73.530000000000001 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.24 -27.35 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 62.509999999999998 110.867 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.3 t90 -58.66 -21.99 55.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 75.400000000000006 110.918 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -51.55 -58.04 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.120000000000005 110.883 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.69 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 70.140000000000001 111.151 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.512 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.98 -57.13 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.161 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -77.53 -26.62 51.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.914 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.522 ' O ' HG23 ' A' ' 23' ' ' ILE . 69.1 t90 -52.72 -47.66 67.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.912 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -27.75 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 73.310000000000002 110.927 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -28.91 32.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.875 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -79.1 -38.85 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 72.329999999999998 110.932 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 19' ' ' TRP . 46.0 pt -64.66 -26.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.504 . . . . 71.310000000000002 111.197 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -74.64 -55.52 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 110.982 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.5 pp -64.78 -39.54 93.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 74.409999999999997 110.904 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.66 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.9 t80 -51.99 -61.47 2.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.872 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.11 -30.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 61.100000000000001 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -67.98 -34.23 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 110.884 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -80.45 -36.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 111.145 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 26' ' ' PHE . 25.6 t -61.29 -43.96 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.230000000000004 111.122 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.91 -32.63 56.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 75.109999999999999 112.563 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -57.26 -36.66 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 72.25 110.946 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -42.89 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.925 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -55.41 -29.56 58.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -81.5 76.47 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 63.43 110.907 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.120000000000005 110.892 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 65.230000000000004 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -97.49 -175.09 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.219999999999999 110.931 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -159.44 -67.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.865 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -58.22 147.94 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.916 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 6.2 m-20 59.8 96.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 74.129999999999995 110.913 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -43.22 91.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 64.400000000000006 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -61.07 -31.53 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 55.329999999999998 110.919 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 5' ' ' ASP . . . -81.6 -42.7 19.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.081 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 t -61.78 -30.41 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 55.409999999999997 110.828 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -50.4 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 55.200000000000003 110.926 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.87 -28.97 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.439999999999998 110.956 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -26.35 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 110.84 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.57 -21.97 54.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.976 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -51.63 -58.02 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 70.219999999999999 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.65 -38.27 71.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.540000000000006 110.814 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.31 -28.67 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.132 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.97 -46.01 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 32.240000000000002 111.192 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -83.08 -30.66 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 63.25 110.853 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.564 ' O ' HG23 ' A' ' 23' ' ' ILE . 27.6 t90 -55.05 -39.36 69.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.325 -0.398 . . . . 71.109999999999999 110.824 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -28.07 33.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.908 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -79.77 -39.12 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.294 -0.412 . . . . 74.209999999999994 110.921 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 19' ' ' TRP . 48.7 pt -62.81 -25.95 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 74.239999999999995 111.151 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -75.0 -57.98 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 63.219999999999999 110.949 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.1 pp -62.89 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 62.240000000000002 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 30' ' ' VAL . 29.7 t80 -52.23 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.439999999999998 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.32 -27.68 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.109999999999999 111.11 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 ttp -71.11 -36.04 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 62.020000000000003 110.834 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 25' ' ' LEU . 5.0 mt -79.24 -40.07 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 63.399999999999999 111.109 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 26' ' ' PHE . 42.7 t -55.97 -45.1 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 62.100000000000001 111.153 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.68 44.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 72.519999999999996 112.544 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -61.06 -35.32 76.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 63.210000000000001 110.855 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -44.88 10.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 73.540000000000006 110.918 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -57.3 -38.02 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 64.310000000000002 110.904 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -67.07 89.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.874 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 pttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 110.913 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 71.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -103.19 110.6 22.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 61.32 110.914 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.45 130.8 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 74.120000000000005 110.898 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -55.18 -69.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.049999999999997 110.948 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -79.55 119.49 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 64.209999999999994 110.841 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.5 -34.57 41.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 72.040000000000006 110.891 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -76.77 -26.04 54.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 110.921 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.54 39.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 63.25 111.073 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 t -56.72 -39.81 74.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 53.509999999999998 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -55.0 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 73.329999999999998 110.897 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -52.05 -40.01 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.209999999999994 110.922 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -65.06 -36.76 85.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 64.549999999999997 110.902 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.67 -21.99 55.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.937 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -51.61 -58.07 7.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 110.851 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.7 -38.12 71.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.38 -28.68 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.152 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.95 -53.3 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 111.235 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -80.92 -26.3 36.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 44.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.422 ' O ' HG23 ' A' ' 23' ' ' ILE . 35.0 t90 -52.03 -42.61 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.969 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -26.53 63.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 52.340000000000003 110.873 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -25.97 34.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 65.219999999999999 110.952 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -78.96 -39.89 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 19' ' ' TRP . 42.1 pt -61.71 -25.1 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.101 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -77.17 -59.01 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.8 pp -62.64 -36.82 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.040000000000006 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 23.4 t80 -52.18 -60.73 2.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 70.530000000000001 110.835 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.21 -31.12 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.132 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.5 -40.96 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 60.119999999999997 110.875 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -74.19 -36.47 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.103 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 82.8 t -51.81 -44.07 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 51.210000000000001 111.121 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.13 65.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 74.129999999999995 112.469 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -67.93 -55.28 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 73.319999999999993 110.929 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -53.99 -36.76 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 110.878 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -43.39 85.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 123.02 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 110.89 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 tttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.310000000000002 110.826 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.824 0.345 . . . . 71.109999999999999 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm 57.28 83.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 70.040000000000006 110.829 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 164.18 23.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 71.439999999999998 110.897 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -38.35 69.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.530000000000001 110.909 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.77 96.57 7.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 71.310000000000002 110.861 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -37.52 62.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 74.049999999999997 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -59.58 -31.44 69.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 110.953 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.67 60.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.040000000000006 111.091 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -71.01 -39.17 72.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 61.439999999999998 110.89 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -26.8 68.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 70.340000000000003 110.931 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -54.43 -35.36 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.540000000000006 110.882 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -29.58 70.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.882 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.53 -22.07 54.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.150000000000006 110.906 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 61.32 110.877 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -56.77 -38.08 71.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.819 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.4 -28.62 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 62.130000000000003 111.135 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.517 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.1 -50.69 66.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 50.350000000000001 111.142 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -79.81 -28.55 40.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 74.319999999999993 110.885 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -54.06 -53.66 49.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 110.886 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -26.09 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.898 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -26.68 34.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.937 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -79.88 -39.8 29.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 74.120000000000005 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 pt -63.14 -25.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 62.25 111.144 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -75.36 -55.8 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.340000000000003 110.923 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.0 pp -65.27 -38.24 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 110.985 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 30' ' ' VAL . 83.4 t80 -52.53 -61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 75.049999999999997 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.96 -25.81 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 63.520000000000003 111.116 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -73.17 -35.02 66.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 52.109999999999999 110.898 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.4 mt -80.86 -37.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.230000000000004 111.101 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.9 t -52.01 -43.9 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 54.030000000000001 111.156 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.35 28.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 71.040000000000006 112.445 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -74.09 -38.04 64.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 53.420000000000002 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -76.79 -32.16 57.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.9 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -61.98 -39.21 91.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 65.530000000000001 110.902 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -63.86 -174.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 52.219999999999999 110.878 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 72.230000000000004 110.908 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 64.25 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -152.69 -64.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 72.420000000000002 110.853 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.94 -39.67 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 63.210000000000001 110.934 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -54.67 -33.69 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 74.140000000000001 110.89 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.58 96.06 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.040000000000006 110.814 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -68.94 -28.91 67.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.854 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.3 m-90 -53.54 -34.04 56.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 74.540000000000006 110.908 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.01 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 45.130000000000003 111.103 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -67.03 -41.35 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.099999999999994 110.838 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -36.33 69.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 75.120000000000005 110.977 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -62.72 -33.47 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.924 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -31.34 70.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 74.109999999999999 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.511 ' CH2' HG23 ' A' ' 17' ' ' THR . 61.0 t90 -58.59 -21.97 54.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 75.519999999999996 110.907 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -51.6 -58.06 7.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 63.299999999999997 110.915 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.6 -38.28 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.26 -28.73 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 63.119999999999997 111.095 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.511 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.03 -45.71 71.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 61.020000000000003 111.114 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.57 -28.29 26.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 55.340000000000003 110.833 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -52.98 -57.02 11.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.909 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -26.24 61.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 110.897 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -26.59 35.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.885 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -80.46 -41.14 24.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 71.400000000000006 110.993 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 pt -60.78 -25.71 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 71.129999999999995 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -74.85 -58.72 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 51.409999999999997 110.909 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 29' ' ' ILE . 1.9 pp -63.28 -37.27 86.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 74.349999999999994 110.878 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.8 t80 -52.09 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.010000000000005 110.948 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.46 -26.88 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 74.030000000000001 111.158 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 ttp -72.34 -37.16 68.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 51.409999999999997 110.854 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.7 mt -79.22 -34.69 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 54.119999999999997 111.147 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.4 t -59.74 -44.0 92.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 111.107 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.49 -31.02 35.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 61.439999999999998 112.455 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -59.98 -39.33 85.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 64.040000000000006 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -39.89 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 62.340000000000003 110.897 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -33.63 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.409999999999997 110.862 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -109.89 130.85 55.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 63.229999999999997 110.896 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 75.109999999999999 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 74.099999999999994 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.86 97.69 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.030000000000001 110.941 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 114.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.549999999999997 110.932 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -59.54 -52.5 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.918 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.99 129.77 47.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 73.329999999999998 110.89 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.27 -39.75 20.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 62.109999999999999 110.941 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -61.22 -27.15 68.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.200000000000003 110.898 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.25 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -41.12 97.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.429 . . . . 63.43 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.71 -31.0 59.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 72.530000000000001 110.829 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -55.02 -34.39 63.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 73.129999999999995 110.96 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 72.439999999999998 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.512 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.54 -22.03 54.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 75.329999999999998 110.988 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -51.52 -58.06 7.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 70.329999999999998 110.935 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.67 -38.21 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 51.049999999999997 110.926 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.21 -28.78 42.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 111.127 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.512 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -53.98 -50.16 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 51.450000000000003 111.104 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -82.56 -26.33 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 70.010000000000005 110.881 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -52.03 -46.76 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -28.99 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -26.13 34.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.905 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -80.12 -39.26 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.876 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 pt -61.85 -25.28 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.310000000000002 111.193 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -75.33 -58.88 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 73.239999999999995 110.821 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.46 -36.9 83.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 75.129999999999995 110.925 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' O ' HG23 ' A' ' 30' ' ' VAL . 67.6 t80 -52.09 -60.0 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.230000000000004 110.814 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -57.05 -30.85 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.450000000000003 111.123 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttp -68.4 -34.78 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.230000000000004 110.905 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -79.48 -35.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 70.299999999999997 111.107 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 26' ' ' PHE . 67.2 t -63.97 -45.23 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 63.240000000000002 111.146 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.01 -41.09 97.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 64.420000000000002 112.536 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -58.0 -53.69 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 72.319999999999993 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -67.15 -26.19 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 75.409999999999997 110.835 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -42.34 97.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 73.409999999999997 110.894 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.46 179.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.906 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.299999999999997 110.929 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.837 0.351 . . . . 73.230000000000004 110.907 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -130.38 125.19 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 64.299999999999997 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mttp 62.23 169.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 54.340000000000003 110.884 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -61.56 136.13 57.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.049999999999997 110.928 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -120.7 45.34 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 73.409999999999997 110.825 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.75 -47.36 39.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.893 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -81.81 -28.52 33.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 74.329999999999998 110.922 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.88 76.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 63.350000000000001 111.095 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -34.75 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 74.409999999999997 110.913 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -60.82 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 75.340000000000003 110.969 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -53.12 -34.82 58.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.219999999999999 110.935 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.66 -32.65 74.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 71.310000000000002 110.909 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.59 -22.04 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 73.329999999999998 110.95 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.55 -57.99 7.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 75.310000000000002 110.954 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -56.78 -38.13 72.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.3 -28.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 71.109999999999999 111.107 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.06 -54.05 44.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 73.239999999999995 111.115 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.16 -30.75 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -52.1 -56.5 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 63.399999999999999 110.952 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.62 -26.44 44.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 74.540000000000006 110.893 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -31.01 32.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.976 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -76.36 -39.37 54.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 64.310000000000002 110.846 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 pt -64.49 -26.52 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 61.409999999999997 111.083 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -73.91 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.23 -37.7 83.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 75.140000000000001 110.91 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.702 ' O ' HG23 ' A' ' 30' ' ' VAL . 67.1 t80 -52.62 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 55.140000000000001 110.848 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.1 mm -55.58 -32.6 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 65.5 111.136 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 ttp -66.52 -34.86 78.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 65.409999999999997 110.868 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.5 mt -82.44 -34.03 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 61.340000000000003 111.141 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 26' ' ' PHE . 41.6 t -63.93 -51.78 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 54.399999999999999 111.179 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.67 -30.65 62.75 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.749 -0.738 . . . . 71.510000000000005 112.552 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -64.19 -48.6 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 73.230000000000004 110.87 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -68.48 -28.9 67.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.149999999999999 110.847 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -26.11 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 73.109999999999999 110.904 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 53.45 70.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 60.420000000000002 110.94 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.409999999999997 110.871 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 70.319999999999993 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -135.91 52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.510000000000005 110.87 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -143.79 154.7 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 63.420000000000002 110.902 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -66.82 125.78 26.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 53.039999999999999 110.841 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.88 142.36 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 64.040000000000006 110.839 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -27.21 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.892 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -55.84 -26.15 45.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 72.319999999999993 110.917 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.49 -28.1 63.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 75.25 111.176 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.57 -40.57 20.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 54.140000000000001 110.863 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.62 -45.87 77.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 73.510000000000005 110.897 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -54.39 -39.01 66.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.61 -35.84 57.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 72.219999999999999 110.863 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.51 -22.02 53.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.912 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -51.58 -58.05 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 110.824 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -56.75 -38.15 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 65.329999999999998 110.877 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 16' ' ' ILE . 3.4 mp -68.29 -28.66 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.125 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.08 -50.16 67.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 111.082 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -78.52 -28.46 46.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.010000000000005 110.868 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.9 t90 -54.53 -50.46 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.450000000000003 110.906 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 55.43 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -30.29 33.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.255 -0.43 . . . . 75.530000000000001 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -77.81 -39.75 42.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' TRP . 50.2 pt -63.47 -26.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 72.109999999999999 111.126 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -74.11 -57.93 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 64.329999999999998 110.934 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.92 -38.87 92.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.120000000000005 110.934 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.751 ' O ' HG23 ' A' ' 30' ' ' VAL . 53.4 t80 -52.07 -62.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.129999999999995 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.4 mm -56.47 -34.74 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 52.310000000000002 111.184 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.47 -36.82 85.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -80.18 -36.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.439999999999998 111.114 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 26' ' ' PHE . 38.0 t -61.76 -45.2 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 51.32 111.143 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.0 -34.43 61.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 74.319999999999993 112.481 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -65.59 -56.37 12.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 71.5 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -53.94 -40.35 66.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.93 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -57.74 -27.81 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.893 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm 56.33 70.05 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.299999999999997 110.891 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.540000000000006 110.872 179.815 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.856 0.36 . . . . 74.209999999999994 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt 62.93 163.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 75.450000000000003 110.937 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.34 -72.6 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 71.510000000000005 110.88 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 mttp 58.42 -177.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 65.120000000000005 110.871 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -153.26 174.86 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.858 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.08 -47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.409999999999997 110.919 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -62.77 -26.02 68.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 75.430000000000007 110.944 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.12 63.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 51.240000000000002 111.118 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -40.3 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 75.219999999999999 110.874 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.83 -32.85 60.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 74.340000000000003 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.4 t90 -54.32 -39.59 67.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.973 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -59.23 -33.82 71.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 65.140000000000001 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.8 t90 -58.67 -21.98 55.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 62.109999999999999 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -51.63 -58.06 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 65.129999999999995 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -56.67 -38.17 71.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.28 -28.7 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.133 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 1.0 OUTLIER -54.01 -49.51 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 71.510000000000005 111.09 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.29 -26.52 30.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 110.895 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.3 t90 -52.79 -45.26 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.964 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -27.36 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 71.549999999999997 110.935 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -29.08 32.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 70.420000000000002 110.948 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -78.04 -39.56 41.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 61.240000000000002 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 pt -63.14 -25.4 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 111.105 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -73.27 -57.07 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.510000000000005 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.85 -37.59 84.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.140000000000001 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 30' ' ' VAL . 88.5 t80 -52.38 -61.23 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 64.010000000000005 110.885 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.6 -30.13 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.7 ttp -68.86 -38.4 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 54.030000000000001 110.854 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.26 -35.61 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 65.329999999999998 111.126 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.5 t -60.56 -47.73 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 62.530000000000001 111.141 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.74 -51.46 56.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 54.32 112.494 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -53.9 -44.98 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 73.450000000000003 110.918 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -68.81 -32.73 72.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.200000000000003 110.952 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -29.02 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 65.140000000000001 110.852 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.37 33.39 18.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 73.230000000000004 110.888 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.299999999999997 110.907 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.866 0.365 . . . . 54.009999999999998 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 59.29 -174.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 62.310000000000002 110.898 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.03 63.54 1.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 63.130000000000003 110.924 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.861 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -104.1 130.63 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 110.857 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -28.35 33.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 61.119999999999997 110.89 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -61.77 -30.17 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.72 -42.59 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 61.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -40.08 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 110.924 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.64 -48.48 72.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.964 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -57.01 -43.97 82.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 73.019999999999996 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -61.9 -34.64 76.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 62.409999999999997 110.852 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.53 -22.01 54.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.908 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.66 -57.93 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.919 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.79 -38.17 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 55.229999999999997 110.859 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.25 -28.64 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 71.099999999999994 111.154 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -53.96 -52.01 62.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 111.125 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -26.32 38.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.408 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.1 t90 -52.1 -46.54 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.891 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -26.17 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.049999999999997 110.888 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -26.23 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.89 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -79.82 -43.58 22.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 73.209999999999994 110.954 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 19' ' ' TRP . 49.4 pt -60.22 -25.35 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 63.32 111.121 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -76.71 -58.8 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 73.5 110.851 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 26' ' ' PHE . 3.0 pp -62.2 -37.89 87.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 71.409999999999997 110.967 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.9 t80 -52.21 -61.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 70.409999999999997 110.878 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.3 mm -56.33 -36.54 46.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 111.156 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttp -62.24 -38.98 91.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.140000000000001 110.891 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mt -78.49 -33.72 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 111.126 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.7 t -63.87 -45.3 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 64.510000000000005 111.177 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.4 -36.02 68.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 62.409999999999997 112.531 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -62.41 -31.5 72.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 53.219999999999999 110.875 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -83.68 -49.22 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.230000000000004 110.885 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -41.16 87.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 110.915 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 56.96 38.44 29.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 60.140000000000001 110.921 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 110.935 179.877 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.817 0.341 . . . . 71.030000000000001 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm 63.13 73.69 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 52.450000000000003 110.836 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.45 86.77 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 61.140000000000001 110.934 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 123.18 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 64.319999999999993 110.878 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.69 65.11 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.109999999999999 110.853 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -48.84 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 72.430000000000007 110.925 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 37.1 p90 -56.8 -28.56 61.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.901 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.37 -41.25 20.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 43.530000000000001 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.36 -44.79 90.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 72.230000000000004 110.832 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -33.49 70.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 110.956 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -59.68 -29.33 68.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.176 -0.466 . . . . 73.219999999999999 110.913 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.57 -36.83 28.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 17' ' ' THR . 61.0 t90 -58.54 -22.0 54.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 64.450000000000003 110.927 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.63 -57.97 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 73.200000000000003 110.908 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -56.79 -38.09 72.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 72.310000000000002 110.893 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.32 -28.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.02 -52.39 60.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 111.152 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.99 -26.47 39.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 61.5 110.884 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -52.29 -45.24 65.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 71.540000000000006 110.945 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -26.25 66.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -26.17 37.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 72.409999999999997 110.901 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 25' ' ' LEU . 42.5 t80 -78.97 -40.85 30.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 74.430000000000007 110.876 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.8 pt -62.15 -25.32 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.512 . . . . 73.319999999999993 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -76.21 -57.65 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.841 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 22' ' ' TYR . 2.5 pp -63.69 -37.55 87.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 62.310000000000002 110.972 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' O ' HG23 ' A' ' 30' ' ' VAL . 70.1 t80 -52.17 -62.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 63.009999999999998 110.87 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.76 -31.9 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 71.030000000000001 111.137 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.2 ttp -66.6 -42.69 86.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 53.229999999999997 110.914 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mt -71.61 -34.99 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 111.177 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.8 t -64.08 -45.43 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 73.510000000000005 111.147 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -32.98 40.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 43.219999999999999 112.514 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -75.02 -50.98 14.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.37 . . . . 74.239999999999995 110.871 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -59.46 -43.73 93.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.310000000000002 111.004 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -53.23 -29.58 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 71.400000000000006 110.911 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.5 167.71 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 70.430000000000007 110.933 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.340000000000003 110.914 179.817 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.844 0.354 . . . . 75.420000000000002 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -135.94 123.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 54.329999999999998 110.851 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -99.19 -29.12 13.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.861 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 57.57 29.44 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.884 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.93 165.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 72.049999999999997 110.804 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -26.85 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 72.120000000000005 110.886 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -53.55 -28.35 31.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 72.25 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.98 -30.16 67.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.400000000000006 111.111 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -75.82 -44.83 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 72.420000000000002 110.863 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tt -70.69 -29.47 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.934 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 73.400000000000006 110.953 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.19 -32.8 72.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 75.010000000000005 110.91 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.513 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.6 t90 -58.58 -22.02 54.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 71.219999999999999 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -51.65 -58.0 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 73.099999999999994 110.887 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.61 -38.24 71.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -68.31 -28.63 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 71.049999999999997 111.134 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.0 -57.51 10.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 111.179 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.91 -26.21 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.462 ' O ' HG23 ' A' ' 23' ' ' ILE . 51.8 t90 -52.04 -45.32 64.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 111.008 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -27.71 68.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.450000000000003 110.962 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -28.85 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 74.549999999999997 110.87 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -77.08 -40.39 46.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.406 . . . . 72.200000000000003 110.962 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 19' ' ' TRP . 44.1 pt -60.91 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 73.319999999999993 111.155 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -76.74 -58.9 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.901 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.5 pp -62.29 -37.99 87.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 74.140000000000001 110.883 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' O ' HG23 ' A' ' 30' ' ' VAL . 46.5 t80 -52.19 -62.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 62.030000000000001 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -54.71 -33.59 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 64.109999999999999 111.149 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 ttp -65.64 -38.35 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 70.310000000000002 110.908 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mt -76.93 -38.99 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 63.299999999999997 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.5 t -54.43 -43.94 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 111.186 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.46 -49.01 76.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 53.310000000000002 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -54.64 -51.44 65.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 74.510000000000005 110.934 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -58.7 -37.1 75.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.925 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.14 69.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.319999999999993 110.961 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -77.33 163.66 26.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.861 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 65.299999999999997 110.896 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.843 0.354 . . . . 74.049999999999997 110.829 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.36 113.03 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.892 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -88.46 111.0 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 62.210000000000001 110.924 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -57.11 163.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 71.299999999999997 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.25 144.56 32.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 60.329999999999998 110.839 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.56 -27.11 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 45.009999999999998 110.897 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -31.08 33.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 70.5 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.71 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 74.409999999999997 111.06 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -72.24 -26.53 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 75.099999999999994 110.89 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 71.519999999999996 110.95 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -54.69 -29.1 52.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 65.340000000000003 110.928 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -67.52 -28.48 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.209999999999994 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CH2' HG23 ' A' ' 17' ' ' THR . 60.5 t90 -58.6 -22.03 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 65.140000000000001 110.994 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -51.51 -58.08 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 110.895 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.77 -38.18 72.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 73.349999999999994 110.811 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.29 -28.71 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 111.1 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CH2' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.01 -40.92 67.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 111.111 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.7 -26.41 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 74.510000000000005 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -53.13 -59.77 4.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.897 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -26.17 41.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 64.430000000000007 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -26.51 35.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.988 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -82.52 -41.54 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 110.915 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 pt -62.25 -26.96 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 74.310000000000002 111.086 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -70.72 -58.31 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.927 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 26' ' ' PHE . 2.4 pp -65.33 -37.63 87.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.901 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.0 t80 -52.1 -60.82 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 60.210000000000001 110.907 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -58.78 -28.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttp -70.09 -33.84 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.240000000000002 110.849 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.96 -38.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 65.540000000000006 111.103 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.8 t -55.25 -44.3 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 111.093 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.97 -30.73 38.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 74.140000000000001 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -70.31 -52.49 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 62.420000000000002 110.959 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -53.35 -42.79 67.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.881 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.29 -34.11 74.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 73.420000000000002 110.894 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -81.58 92.13 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.099999999999994 110.876 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 62.100000000000001 110.889 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.883 0.373 . . . . 73.25 110.908 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 57.68 53.11 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 110.975 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.79 51.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.450000000000003 110.935 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -65.54 -39.75 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.884 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -135.15 132.85 38.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.932 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.19 -45.28 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 74.129999999999995 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -64.85 -27.08 68.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.129999999999995 110.918 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.09 81.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 71.329999999999998 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -32.55 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 71.150000000000006 110.847 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -55.98 25.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.901 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -63.47 -26.89 68.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 72.120000000000005 110.934 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -27.04 62.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 64.549999999999997 110.829 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CZ3' HG23 ' A' ' 17' ' ' THR . 61.1 t90 -58.58 -22.13 55.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 110.852 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -51.53 -58.08 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 73.319999999999993 110.839 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.67 -38.19 71.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 61.439999999999998 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.26 -28.67 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.219999999999999 111.134 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.9 OUTLIER -54.09 -52.34 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 111.128 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -79.9 -26.92 40.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 72.540000000000006 110.908 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -52.17 -47.36 65.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.129 -0.487 . . . . 73.200000000000003 110.929 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -26.19 68.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.540000000000006 110.915 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -26.64 34.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 73.409999999999997 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -79.94 -39.8 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.876 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.1 pt -60.95 -25.55 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 72.120000000000005 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.76 -58.86 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 75.450000000000003 110.898 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.44 -36.97 84.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.430000000000007 110.981 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.729 ' O ' HG23 ' A' ' 30' ' ' VAL . 69.1 t80 -52.11 -62.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.109999999999999 110.898 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.0 -41.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 65.239999999999995 111.113 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -58.33 -35.59 72.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 73.310000000000002 110.871 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.2 mt -82.52 -37.17 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 74.140000000000001 111.136 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 26' ' ' PHE . 43.4 t -61.02 -43.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 111.094 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.48 -28.35 44.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 61.210000000000001 112.491 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -77.24 -42.72 36.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 75.019999999999996 110.879 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -70.04 -39.31 75.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 70.299999999999997 110.909 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -42.88 78.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 64.430000000000007 110.979 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? 54.78 58.79 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 73.219999999999999 110.944 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.869 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mttm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.876 0.369 . . . . 72.420000000000002 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -93.33 132.28 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.96 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -102.46 35.49 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 74.209999999999994 110.905 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -60.72 138.89 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.49 90.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.855 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.400000000000006 110.954 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -65.13 -45.42 85.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.49 68.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 72.420000000000002 111.067 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.19 80.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.439999999999998 110.893 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -37.04 82.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 64.129999999999995 110.955 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -63.95 -39.36 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.898 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -30.87 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 71.150000000000006 110.892 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.515 ' CZ3' HG23 ' A' ' 17' ' ' THR . 58.4 t90 -58.23 -22.38 51.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.219999999999999 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -51.6 -57.95 7.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.6 -38.0 71.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.319999999999993 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.4 mp -68.47 -28.76 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 111.172 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' CZ3' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -54.39 -51.13 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 64.239999999999995 111.136 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -82.01 -26.35 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.886 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -52.47 -48.05 66.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 75.340000000000003 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -27.05 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.040000000000006 110.919 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -26.23 34.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 65.049999999999997 110.863 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -79.08 -40.89 30.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 71.109999999999999 110.885 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.05 -24.94 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.09 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -76.18 -59.08 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.913 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.68 -37.02 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 74.409999999999997 110.855 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 30' ' ' VAL . 58.2 t80 -52.13 -60.08 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 71.430000000000007 110.878 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.0 -27.27 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 72.120000000000005 111.178 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp -71.63 -37.2 70.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 75.400000000000006 110.846 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -77.16 -38.0 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 26' ' ' PHE . 39.3 t -61.72 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 72.25 111.135 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.04 44.58 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.711 -0.757 . . . . 62.229999999999997 112.524 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -66.07 -45.0 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 72.109999999999999 110.848 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.56 -38.03 89.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 60.130000000000003 110.868 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -55.5 -32.94 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 62.340000000000003 110.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -79.78 92.35 5.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 110.836 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 62.439999999999998 110.891 179.851 . . . . . . . . 1 1 . 1 stop_ save_